SCHEMBL4098740

SCHEMBL4098740

Cc1cc(Oc2c(C)n[nH]c2C2CC2)cc(C)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.34
GRM5 P41594 1/20 0.34
KCNH2 Q12809 3/20 0.33
MAT2A P31153 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 1/20 0.33
XIAP P98170 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FASN P49327 3/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL4730996 0.95 KCNH2 (0.32) LRRK2GRM5KCNH2ENPP3ALPL
SCHEMBL4105032 0.88 LRRK2 (0.37) LRRK2GRM5KCNH2MAT2ACYP1A2
SCHEMBL4109832 0.84 ENPP3 (0.39) LRRK2MAT2AENPP3ALPLENPP1
SCHEMBL4109187 0.80 ENPP3 (0.50) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4748718 0.78 PKM (0.35) LRRK2KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4115341 0.77 RAPGEF4 (0.33) LRRK2KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4751023 0.74 KCNH2 (0.37) LRRK2KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4751664 0.73 RAPGEF4 (0.33) KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4105432 0.73 AR (0.38) LRRK2MAT2A
SCHEMBL4103776 0.72 PKM (0.34) LRRK2CYP1A2CYP2C19SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 US 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-20080096950-A1 Compounds Useful In Therapy CYP19A1, LPXN, HSD17B11 LRRK2 4414/4885GRM5 3344/4885KCNH2 1777/4885
US-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 LRRK2 3396/4885GRM5 2550/4885KCNH2 984/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 LRRK2 3140/4885GRM5 2945/4885KCNH2 1091/4885

“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.