SCHEMBL4137261

SCHEMBL4137261

CN(C)Cc1nnc(-c2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.40
KDR P35968 3/20 0.38
AURKB Q96GD4 6/20 0.38
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
CHEK1 O14757 6/20 0.36
AURKA O14965 2/20 0.35
FGFR1 P11362 1/20 0.35
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 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
SCHEMBL4137257 1.00 PLK4 (0.40) PLK4KDRAURKBNTRK1NTRK3
SCHEMBL14075063 0.90 KDR (0.37) PLK4KDRAURKBNTRK1NTRK3
SCHEMBL4140251 0.89 CHEK1 (0.47) PLK4KDRAURKBNTRK1NTRK3
SCHEMBL4140246 0.89 CHEK1 (0.47) PLK4KDRAURKBNTRK1NTRK3
SCHEMBL4136540 0.87 CHEK1 (0.38) KDRAURKBCHEK1AURKAFGFR1
SCHEMBL4136547 0.87 CHEK1 (0.38) KDRAURKBCHEK1AURKAFGFR1
SCHEMBL4157585 0.86 CHEK1 (0.38) KDRAURKBCHEK1AURKAFGFR1
SCHEMBL4157590 0.86 CHEK1 (0.38) KDRAURKBCHEK1AURKAFGFR1
SCHEMBL4151345 0.86 AURKA (0.37) KDRAURKBCHEK1AURKAFGFR1
SCHEMBL4151339 0.86 AURKA (0.37) KDRAURKBCHEK1AURKAFGFR1

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 5 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-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
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 PLK4 595/4885KDR 932/4885AURKB 608/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PLK4 618/4885KDR 1044/4885AURKB 579/4885

“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.