SCHEMBL4149523

SCHEMBL4149523

CC(=O)Nc1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
KDR P35968 5/20 0.43
FGFR1 P11362 2/20 0.43
NPC1 O15118 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PLK4 O00444 1/20 0.38
HTR1F P30939 2/20 0.38
MAPT P10636 3/20 0.37
ATM Q13315 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4149516 1.00 RAB9A (0.43) RAB9AKDRFGFR1NPC1MEN1
SCHEMBL14075008 0.85 ABL1 (0.43) RAB9AKDRNPC1KMT2AADORA2A
SCHEMBL6427567 0.81 ADORA3 (0.44) RAB9ANPC1ADORA3ADORA2AMAPK14
SCHEMBL4148944 0.79 AURKA (0.53) RAB9AMEN1KMT2AMAPTRECQL
SCHEMBL4148946 0.79 AURKA (0.53) RAB9AMEN1KMT2AMAPTRECQL
SCHEMBL4136314 0.77 KDR (0.46) RAB9AKDRFGFR1PLK4
SCHEMBL4136307 0.77 KDR (0.46) RAB9AKDRFGFR1PLK4
SCHEMBL4135888 0.75 MEN1 (0.40) RAB9AKDRFGFR1NPC1MEN1
SCHEMBL14075004 0.75 KDM4E (0.40) RAB9AKDRFGFR1NPC1MEN1
SCHEMBL4151582 0.74 KDR (0.49) RAB9AKDRFGFR1PLK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B RAB9A 1606/4885KDR 932/4885FGFR1 278/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885KDR 1044/4885FGFR1 328/4885

“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.