Sugi Predict

Sugi Predict / Compounds / SCHEMBL4151848

SCHEMBL4151848

SCHEMBL4151848

COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(C(C)=O)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.38
▸ CHEK1 O14757 4/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ PRKAA2 P54646 2/20 0.37
▸ PRKAA1 Q13131 2/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ STK25 O00506 1/20 0.37
▸ CIT O14578 1/20 0.37
▸ RIOK3 O14730 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ MUSK O15146 1/20 0.37
▸ EPHB6 O15197 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ MAP3K13 O43283 1/20 0.37
▸ DAPK3 O43293 1/20 0.37

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
SCHEMBL4151845 1.00 KDR (0.38) KDRCHEK1FGFR1PRKAA2PRKAA1
SCHEMBL4144227 0.89 NPC1 (0.44) PRKAA1AURKAAURKBHDAC6POLB
SCHEMBL4136045 0.89 TUBB4A (0.38) KDRCHEK1FGFR1PRKAA2PRKAA1
SCHEMBL4144222 0.89 NPC1 (0.44) PRKAA1AURKAAURKBHDAC6POLB
SCHEMBL4136051 0.89 TUBB4A (0.38) KDRCHEK1FGFR1PRKAA2PRKAA1
SCHEMBL4145369 0.89 KDR (0.44) KDRCHEK1FGFR1AURKALCK
SCHEMBL4145366 0.89 KDR (0.44) KDRCHEK1FGFR1AURKALCK
SCHEMBL4137530 0.88 KDR (0.39) KDRCHEK1CDK4ALDH1A1MAPT
SCHEMBL4137389 0.88 NFE2L2 (0.38) KDRCHEK1FGFR1NQO2L3MBTL1
SCHEMBL4137384 0.88 NFE2L2 (0.38) KDRCHEK1FGFR1NQO2L3MBTL1

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 KDR 932/4885CHEK1 952/4885FGFR1 278/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885CHEK1 657/4885FGFR1 328/4885

“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.