SCHEMBL1435798

SCHEMBL1435798

Cc1nc(-c2cccnc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 4/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALK Q9UM73 2/20 0.51
CYP2A6 P11509 5/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
METAP2 P50579 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
MAP2K4 P45985 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11598851 0.80 SMN1; SMN2 (0.87) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL1436121 0.79 NR1H2 (0.61) SMN1; SMN2TP53LMNAHPGDCYP1A2
SCHEMBL831106 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL4873033 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL6263112 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL12282613 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL16071467 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL17279680 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1TP53KDM4ELMNA
SCHEMBL29330535 0.77 HDAC3 (0.53) KDM4EJAK2MAPK8MAPK9
SCHEMBL26107873 0.76 HDAC3 (0.65) LMNAGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519403-B1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LTD (GB) 2021-09-08 EP disclosed
US-11046660-B2 Compounds and their use as PDE4 activators MIRONID LIMITED (GB) 2021-06-29 US disclosed
EP-3725785-A1 GLUTARIMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING GLUTARIMIDE DERIVATIVES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2020-10-21 EP disclosed
EP-3722290-A1 GLUTARIMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING GLUTARIMIDE DERIVATIVES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2020-10-14 EP disclosed
US-20200031781-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2020-01-30 US disclosed
US-10377739-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2019-08-13 US disclosed
US-20190084961-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2019-03-21 US disclosed
US-10196377-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2019-02-05 US disclosed
US-20180022728-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2018-01-25 US disclosed
US-20180022728-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2018-01-25 US disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10377739-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives GCDH, GLS, HADH SMN1; SMN2 1508/4885ALDH1A1 799/4885TP53 4744/4885
US-20180022728-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives GCDH, GLS, HADH SMN1; SMN2 1377/4885ALDH1A1 800/4885TP53 4730/4885
US-11046660-B2 Compounds and their use as PDE4 activators PDE4A, PDE4B, PDE7A SMN1; SMN2 1128/4885ALDH1A1 611/4885TP53 4813/4885
US-10196377-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives GCDH, GLS, HADH SMN1; SMN2 1508/4885ALDH1A1 799/4885TP53 4744/4885
US-20190084961-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives GCDH, GLS, HADH SMN1; SMN2 1508/4885ALDH1A1 799/4885TP53 4744/4885
US-20200031781-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS PDE4A, PDE4B, PDE7A SMN1; SMN2 1128/4885ALDH1A1 611/4885TP53 4813/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 SMN1; SMN2 2529/4885ALDH1A1 233/4885TP53 4661/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 1935/4885ALDH1A1 133/4885TP53 4814/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 2529/4885ALDH1A1 233/4885TP53 4661/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.