Sugi Predict

Sugi Predict / Compounds / SCHEMBL5032380

SCHEMBL5032380

SCHEMBL5032380

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ NFE2L2 Q16236 4/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ RELA Q04206 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ AURKB Q96GD4 2/20 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
SCHEMBL5034298 0.89 SCN9A (0.36) CHEK1CCNA2CDK2MAPK1LMNA
SCHEMBL5030038 0.89 CHEK1 (0.39) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL13927710 0.89 KDR (0.37) CHEK1NPC1RAB9AAURKAAURKB
SCHEMBL5027609 0.89 KDR (0.37) CHEK1NPC1RAB9AAURKAAURKB
SCHEMBL5031209 0.89 CHEK1 (0.38) CHEK1NPC1RAB9AKMT2AKDR
SCHEMBL13927719 0.89 CHEK1 (0.38) CHEK1NPC1RAB9AKMT2AKDR
SCHEMBL4151412 0.87 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4151409 0.87 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5031154 0.86 TRPV3 (0.41) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4141785 0.86 CHEK1 (0.42) CHEK1CDK1CDK4CCNA2CCND1

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 6 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-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

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 952/4885CDK1 191/4885CDK4 256/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK1 180/4885CDK4 260/4885

“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.