SCHEMBL5034320

SCHEMBL5034320

CNCC1(C(=O)Nc2cc3c(/C=C/c4ccccc4F)n[nH]c3cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.43
CDK4 P11802 2/20 0.43
CCNA2 P20248 2/20 0.43
CCND1 P24385 2/20 0.43
CDK2 P24941 2/20 0.43
CCND3 P30281 2/20 0.43
CDK1 P06493 1/20 0.43
AURKA O14965 8/20 0.41
AURKB Q96GD4 7/20 0.40
KDR P35968 6/20 0.39
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
FGFR1 P11362 3/20 0.34

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
SCHEMBL5034350 0.89 CHEK1 (0.43) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5030178 0.87 AURKA (0.44) AURKAAURKBKDRCSF1RPDGFRB
SCHEMBL5030054 0.86 AURKA (0.44) CHEK1CDK4CCNA2CDK2AURKA
SCHEMBL5034375 0.86 AURKA (0.44) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4157896 0.82 CHEK1 (0.51) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4157900 0.82 CHEK1 (0.51) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4153718 0.78 AURKA (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4153713 0.78 AURKA (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL6428478 0.78 AURKA (0.42) CHEK1CCNA2CDK2AURKAAURKB
SCHEMBL4148604 0.78 AURKA (0.48) 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-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

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 256/4885CCNA2 538/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK4 260/4885CCNA2 567/4885

“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.