SCHEMBL4148339

SCHEMBL4148339

O=C(O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND3 P30281 2/20 0.47
CDK1 P06493 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
NFE2L2 Q16236 5/20 0.42
KDR P35968 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
PARP1 P09874 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL4148344 1.00 CHEK1 (0.47) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL4146553 0.83 DYRK1A (0.43) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL4146547 0.83 DYRK1A (0.43) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL5030106 0.82 CHEK1 (0.40) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL6427150 0.81 SCN9A (0.43) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL5034336 0.81 ROCK1 (0.43) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL4144487 0.81 CHEK1 (0.50) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL14087217 0.81 CHEK1 (0.50) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL4144491 0.81 CHEK1 (0.50) CHEK1CDK4CCND1CCND3CDK1
SCHEMBL5029958 0.80 TRPV3 (0.45) CHEK1CDK4CCND1CCND3CDK1

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 7 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-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 952/4885CDK4 256/4885CCND1 1232/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK4 260/4885CCND1 1309/4885

“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.