SCHEMBL1824296

SCHEMBL1824296

Cc1cc(-n2cncn2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.45
RAD52 P43351 2/20 0.45
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2A6 P11509 1/20 0.42
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL3315742 0.86 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL5837430 0.85 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MAPTRAD52
SCHEMBL6592711 0.84 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL11995606 0.84 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL7443823 0.83 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL1852173 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL356291 0.79 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP1A2
SCHEMBL6225101 0.79 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP1A2
SCHEMBL12312203 0.79 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP1A2
SCHEMBL11993146 0.77 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791130-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-07-29 US disclosed
US-20130158057-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
US-4783467-A Tetrahydroimidazoquinazolinone inotropic agents PFIZER INC. (US) 1988-11-08 US disclosed
EP-0205280-A2 Tetrahydroimidazoquinazolinone cardiac stimulants Pfizer Limited (GB) 1986-12-17 EP 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE KDM4E 3988/4885ALDH1A1 443/4885SMN1; SMN2 1198/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 KDM4E 3146/4885ALDH1A1 238/4885SMN1; SMN2 970/4885
US-20130158057-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 KDM4E 2484/4885ALDH1A1 2148/4885SMN1; SMN2 178/4885

“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.