SCHEMBL4157585

SCHEMBL4157585

OCc1nnc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.38
KDR P35968 5/20 0.38
AURKA O14965 3/20 0.37
AURKB Q96GD4 1/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 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
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4157590 1.00 CHEK1 (0.38) CHEK1KDRAURKAAURKBIP6K1
SCHEMBL4136540 0.90 CHEK1 (0.38) CHEK1KDRAURKAAURKBIP6K1
SCHEMBL4136547 0.90 CHEK1 (0.38) CHEK1KDRAURKAAURKBIP6K1
SCHEMBL4143843 0.90 CHEK1 (0.35) CHEK1KDRAURKAAURKBIP6K1
SCHEMBL4143848 0.90 CHEK1 (0.35) CHEK1KDRAURKAAURKBIP6K1
SCHEMBL4153415 0.89 CHEK1 (0.49) CHEK1KDRAURKAAURKBCDK4
SCHEMBL4153411 0.89 CHEK1 (0.49) CHEK1KDRAURKAAURKBCDK4
SCHEMBL4143750 0.88 AURKA (0.39) CHEK1KDRAURKAAURKBCDK4
SCHEMBL4143760 0.88 AURKA (0.39) CHEK1KDRAURKAAURKBCDK4
SCHEMBL4153566 0.87 CHEK1 (0.40) CHEK1KDRAURKAAURKBCDK4

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 8 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 CHEK1 952/4885KDR 932/4885AURKA 726/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885KDR 1044/4885AURKA 710/4885

“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.