SCHEMBL1435940

SCHEMBL1435940

Cc1ccc(-c2n[c]c(C)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.44
DCUN1D1 Q96GG9 1/20 0.40
TNKS O95271 3/20 0.39
PARP1 P09874 3/20 0.39
TNKS2 Q9H2K2 3/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL1436041 0.83 MAPK1 (0.46) DCUN1D1TNKSTNKS2RAB9ASMN1; SMN2
SCHEMBL316575 0.83 POLB (0.44) NISCHTNKSPARP1TNKS2NR1H2
SCHEMBL1435813 0.81 MGAM (0.42) RAB9AMAPTLMNACYP1A2CYP3A4
SCHEMBL1435841 0.74 ALDH1A1 (0.42) RAB9ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL12311604 0.72 NISCH (0.50) NISCHDCUN1D1TNKSPARP1TNKS2
SCHEMBL1435750 0.71 KMT2A (0.50) RAB9ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1436107 0.71 ALDH1A1 (0.40) SMN1; SMN2CYP1A2CYP2C19
SCHEMBL13041701 0.68 TNKS (0.49) NISCHDCUN1D1TNKSPARP1TNKS2
SCHEMBL1436838 0.68 ALDH1A1 (0.45) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL28536156 0.68 NISCH (0.47) NISCHDCUN1D1TNKSPARP1TNKS2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 NISCH 2644/4885DCUN1D1 2279/4885TNKS 3813/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NISCH 3631/4885DCUN1D1 965/4885TNKS 3309/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NISCH 2644/4885DCUN1D1 2279/4885TNKS 3813/4885

“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.