SCHEMBL4137519

SCHEMBL4137519

O=C(NC1CC1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
DYRK1A Q13627 2/20 0.42
KDR P35968 5/20 0.42
SMYD3 Q9H7B4 2/20 0.41
CHRM5 P08912 1/20 0.41
ATM Q13315 1/20 0.41
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
ABL1 P00519 1/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL4137524 1.00 CHEK1 (0.45) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4140468 0.84 CHEK1 (0.51) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4140462 0.84 CHEK1 (0.51) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4149348 0.83 CHEK1 (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4149353 0.83 CHEK1 (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146547 0.82 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146553 0.82 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL6426313 0.80 CHEK1 (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14074995 0.79 HPGD (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14074996 0.79 TRPV3 (0.42) CHEK1CDK1CDK4CCNA2CCND1

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 8 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 CHEK1 952/4885CDK1 191/4885CDK4 256/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK1 180/4885CDK4 260/4885

“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.