SCHEMBL4153964

SCHEMBL4153964

COc1c(C(=O)OCC2CC2)ccc2c1c(C=Cc1ccc(F)cc1F)nn2C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
HTR4 Q13639 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ACKR3 P25106 2/20 0.30
CHRM3 P20309 1/20 0.30
JMJD6 Q6NYC1 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
SCHEMBL4136502 0.88 HTR4 (0.33) HTR4
SCHEMBL4135795 0.86 HTR4 (0.35) HTR4CHRM3JMJD6
SCHEMBL4153493 0.85 HTR4 (0.35) NPC1HTR4
SCHEMBL4152330 0.85 TUBB1 (0.40) HTR4
SCHEMBL4155857 0.83 PDE4B (0.38) HTR4SMN1; SMN2MAPT
SCHEMBL4139105 0.82 GAA (0.35) RAB9ANPC1HTR4SMN1; SMN2PARP10
SCHEMBL4139785 0.80 JMJD6 (0.32) HTR4JMJD6
SCHEMBL4157519 0.78 GPR183 (0.35) RAB9ANPC1HTR4CHRM3
SCHEMBL4148222 0.76 CTSL (0.32) SMN1; SMN2POLB
SCHEMBL4139709 0.75 ATM (0.40) RAB9APOLB

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 1606/4885NPC1 3183/4885HTR4 2339/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885NPC1 3703/4885HTR4 2773/4885

“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.