SCHEMBL4142174

SCHEMBL4142174

Nc1cc2c(C=Cc3ccccc3F)n[nH]c2cc1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.59
CDK4 P11802 2/20 0.59
CCNA2 P20248 2/20 0.59
CCND1 P24385 2/20 0.59
CDK2 P24941 2/20 0.59
CCND3 P30281 2/20 0.59
CDK1 P06493 1/20 0.59
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
NFE2L2 Q16236 5/20 0.43
NTRK1 P04629 3/20 0.40
NTRK3 Q16288 3/20 0.40
NTRK2 Q16620 3/20 0.40
GRM4 Q14833 1/20 0.39
KDR P35968 4/20 0.39
FGFR1 P11362 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
SCHEMBL4146038 0.81 AURKA (0.44) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4146044 0.81 AURKA (0.44) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL29390098 0.80 CHEK1 (0.64) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4150678 0.80 CHEK1 (0.57) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4149163 0.80 CHEK1 (0.57) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4136583 0.80 AURKA (0.50) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4153412 0.79 CHEK1 (0.59) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4153408 0.79 CHEK1 (0.59) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4141015 0.78 AURKA (0.46) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4153389 0.77 CHEK1 (0.53) CHEK1CDK4CCNA2CCND1CDK2

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 4 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-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 (1 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 256/4885CCNA2 538/4885

“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.