SCHEMBL4140374

SCHEMBL4140374

COc1c(C#N)ccc2c1c(/C=C/c1cccnc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SRC P12931 2/20 0.33
CYP1A1 P04798 4/20 0.32
CYP1A2 P05177 4/20 0.32
CYP1B1 Q16678 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KIF20A O95235 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL4140378 1.00 CYP11B1 (0.36) CYP11B1CYP11B2SRCCYP1A1CYP1A2
SCHEMBL13927733 0.83 SRC (0.38) CYP11B1CYP11B2SRCCYP1A1CYP1A2
SCHEMBL4140200 0.81 IMPDH2 (0.32) NPC1RAB9A
SCHEMBL4152067 0.76 NPC1 (0.32) NPC1RAB9A
SCHEMBL4148807 0.76 NPC1 (0.32) NPC1RAB9A
SCHEMBL4151404 0.74 AURKA (0.46) CYP11B1CYP11B2SRCCYP1A1CYP1A2
SCHEMBL4151398 0.74 AURKA (0.46) CYP11B1CYP11B2SRCCYP1A1CYP1A2
SCHEMBL27604848 0.73 CYP11B2 (0.49) CYP11B1CYP11B2CYP1A1CYP1A2CYP1B1
SCHEMBL4157675 0.69 MAPK1 (0.38) SRCNPC1RAB9AKDM4EPOLB
SCHEMBL4157669 0.69 MAPK1 (0.38) SRCNPC1RAB9AKDM4EPOLB

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 CYP11B1 124/4885CYP11B2 106/4885SRC 139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP11B1 138/4885CYP11B2 121/4885SRC 151/4885

“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.