SCHEMBL4146869

SCHEMBL4146869

Cn1cnc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.37
AURKB Q96GD4 3/20 0.37
CHEK1 O14757 13/20 0.36
KDR P35968 8/20 0.35
CDK4 P11802 4/20 0.35
CCNA2 P20248 3/20 0.35
CCND1 P24385 3/20 0.35
CDK2 P24941 3/20 0.35
CCND3 P30281 3/20 0.35
CDK1 P06493 2/20 0.35
FGFR1 P11362 2/20 0.34
TTK P33981 2/20 0.34
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
STK25 O00506 1/20 0.34
CIT O14578 1/20 0.34
RIOK3 O14730 1/20 0.34
IKBKB O14920 1/20 0.34
GAK O14976 1/20 0.34
DCLK1 O15075 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
SCHEMBL4146874 1.00 AURKA (0.37) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4153347 0.82 AURKA (0.36) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4153344 0.82 AURKA (0.36) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4152800 0.82 CHEK1 (0.44) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4152801 0.82 CHEK1 (0.44) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4148872 0.81 CHEK1 (0.38) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4148876 0.81 CHEK1 (0.38) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4151439 0.79 CHEK1 (0.39) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4151432 0.79 CHEK1 (0.39) AURKAAURKBCHEK1KDRCDK4
SCHEMBL4145918 0.79 DRD2 (0.36) 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 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 AURKA 726/4885AURKB 608/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885CHEK1 657/4885

“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.