SCHEMBL4149484

SCHEMBL4149484

NC(=O)n1nc(/C=C/c2ccccn2)c2c[c]cc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KDR P35968 2/20 0.33
NFE2L2 Q16236 2/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
NTRK3 Q16288 6/20 0.33
NTRK1 P04629 5/20 0.33
NTRK2 Q16620 5/20 0.33
FGFR1 P11362 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4149488 1.00 MEN1 (0.36) MEN1NPC1RAB9AKMT2AATM
SCHEMBL4145361 0.82 JUN (0.33) KDM4E
SCHEMBL4139804 0.81 ENPP2 (0.36) MEN1NPC1RAB9AKMT2ANFE2L2
SCHEMBL4149526 0.79 NFE2L2 (0.39) MEN1KMT2ANFE2L2KDM4EALDH1A1
SCHEMBL4144404 0.77 ALOX5 (0.34)
SCHEMBL4142186 0.75 TUBB4A (0.37) NPC1RAB9AKMT2A
SCHEMBL4142168 0.62 NFE2L2 (0.36) NPC1RAB9AKMT2ANFE2L2KDM4E
SCHEMBL4142170 0.62 NFE2L2 (0.36) NPC1RAB9AKMT2ANFE2L2KDM4E
SCHEMBL6284733 0.62 RORC (0.39) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6284735 0.62 RORC (0.39) MEN1NPC1RAB9AKMT2AATM

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 3 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-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 (1 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 MEN1 4415/4885NPC1 3183/4885RAB9A 1606/4885

“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.