Sugi Predict

Sugi Predict / Compounds / SCHEMBL5030122

SCHEMBL5030122

SCHEMBL5030122

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(/C=C/c3ccc(Cl)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.36
▸ KCNA3 P22001 3/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ CHEK1 O14757 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL5034366 0.92 KDR (0.33) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL5030055 0.92 KDR (0.35) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL5034298 0.91 SCN9A (0.36) KDRMAPK1CHEK1CCNA2CDK2
SCHEMBL5027609 0.91 KDR (0.37) KDRCHEK1HSD17B10
SCHEMBL13927710 0.91 KDR (0.37) KDRCHEK1HSD17B10
SCHEMBL13927724 0.90 HPGDS (0.33) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL5029929 0.90 HPGDS (0.33) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL5031135 0.90 CHEK1 (0.34) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL13927727 0.90 CHEK1 (0.34) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL5034361 0.86 TUBB4A (0.38) MAPK1CHEK1LMNAMAPT

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 KDR 932/4885KCNA3 1044/4885PTGS2 1583/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885KCNA3 1086/4885PTGS2 1873/4885

“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.