Sugi Predict

Sugi Predict / Compounds / SCHEMBL2921745

SCHEMBL2921745

SCHEMBL2921745

CC(C)NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Cl)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ KCNH2 Q12809 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TOP2A P11388 9/20 0.39
▸ TOP2B Q02880 6/20 0.39

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
SCHEMBL2915100 0.91 CYP3A4 (0.63) CYP3A4CYP2C9ALDH1A1POLBKCNH2
SCHEMBL7858479 0.91 CYP3A4 (0.81) CYP3A4CYP2C9ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL2922393 0.90 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1POLBKCNH2
SCHEMBL2918028 0.90 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1POLBKCNH2
SCHEMBL2918038 0.90 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL2921501 0.90 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL2923148 0.90 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1POLBKCNH2
SCHEMBL3534111 0.89 CYP3A4 (0.61) CYP3A4CYP2C9ALDH1A1POLBKCNH2
SCHEMBL6281366 0.89 CYP2C9 (0.77) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL2922084 0.89 CYP3A4 (0.77) CYP3A4CYP2C9ALDH1A1POLBCHRM2

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-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 — — US claimed
EP-1813610-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2010-09-08 — — EP disclosed
US-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD (JP) 2009-06-11 — — US disclosed
EP-1813610-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 — — 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 (1 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-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF SLC7A1, PLPBP, PYCR1 CYP3A4 863/4885CYP2C9 331/4885ALDH1A1 1125/4885

“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.