SCHEMBL4154827

SCHEMBL4154827

Fc1ccc(C=Cc2n[nH]c3cc(F)c(-c4nc5cc(Cl)c(Cl)cc5[nH]4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RHEB Q15382 4/20 0.38
CHEK1 O14757 8/20 0.38
CDK4 P11802 2/20 0.38
CCNA2 P20248 2/20 0.38
CCND1 P24385 2/20 0.38
CDK2 P24941 2/20 0.38
CCND3 P30281 2/20 0.38
AMY1A P0DUB6 3/20 0.36
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
KDR P35968 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL4154820 1.00 MEN1 (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4145646 0.96 NPC1 (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4145643 0.96 NPC1 (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4146264 0.89 AMY1A (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4146259 0.89 AMY1A (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4156599 0.89 AMY1A (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4156596 0.89 AMY1A (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4156685 0.85 RAB9A (0.58) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4156689 0.85 RAB9A (0.58) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4143263 0.85 MAPT (0.42) MEN1NPC1RAB9AKMT2AKDM4E

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 MEN1 4415/4885NPC1 3183/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MEN1 4470/4885NPC1 3703/4885RAB9A 1726/4885

“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.