SCHEMBL2003318

SCHEMBL2003318

CN(C)C=Nc1c(C(=O)C(F)(F)F)c(C#N)nn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.42
HSP90AA1 P07900 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL2003316 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2003514 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2003513 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2004509 0.81 GABRP (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2004510 0.81 GABRP (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2009558 0.80 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL2005218 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2005220 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3112325 0.79 GABRP (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3112330 0.79 GABRP (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US disclosed
EP-1705989-B1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7435753-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2008-10-14 US disclosed
US-20060014802-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2006-01-19 US disclosed
US-20050148649-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2005-07-07 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 (5 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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 ALDH1A1 963/4885SMN1; SMN2 3800/4885RAB9A 44/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 ALDH1A1 963/4885SMN1; SMN2 3800/4885RAB9A 44/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 ALDH1A1 346/4885SMN1; SMN2 3170/4885RAB9A 1667/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 ALDH1A1 1045/4885SMN1; SMN2 4228/4885RAB9A 32/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 ALDH1A1 358/4885SMN1; SMN2 2447/4885RAB9A 1205/4885

“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.