SCHEMBL4137397

SCHEMBL4137397

Nc1cc(F)c2[nH]nc(C=Cc3cccs3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
GRM4 Q14833 1/20 0.36
CHEK1 O14757 3/20 0.36
CDK4 P11802 2/20 0.35
CCNA2 P20248 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
CCND3 P30281 2/20 0.35
CDK1 P06493 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 3/20 0.33
RAB9A P51151 3/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL4141491 0.81 CHEK1 (0.50) KDRGRM4CHEK1CDK4CCNA2
SCHEMBL4144766 0.79 KDR (0.47) KDRCHEK1CDK4CCNA2CCND1
SCHEMBL4145365 0.78 TTK (0.45) KDRCHEK1CDK4CCNA2CCND1
SCHEMBL4146038 0.78 AURKA (0.44) KDRGRM4CHEK1CDK4CCNA2
SCHEMBL4144406 0.78 CHEK1 (0.34) KDRCHEK1CDK4CCNA2CCND1
SCHEMBL4146044 0.78 AURKA (0.44) KDRGRM4CHEK1CDK4CCNA2
SCHEMBL4139812 0.76 KDM4E (0.38) KDRGRM4CHEK1MAPTKMT2A
SCHEMBL4149528 0.76 CHEK1 (0.50) KDRGRM4CHEK1CDK4CCNA2
SCHEMBL4149490 0.76 KDR (0.48) KDRGRM4CHEK1KMT2ARAB9A
SCHEMBL13927828 0.74 KDR (0.42) KDRLMNAPOLB

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 3 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-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 KDR 932/4885GRM4 1775/4885CHEK1 952/4885

“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.