SCHEMBL22016203

SCHEMBL22016203

Cc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM5B Q9UGL1 5/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FADS1 O60427 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL22035524 0.78
SCHEMBL4283815 0.78 KDM5B (0.46) KDM5BCASR
SCHEMBL22016202 0.76 KDM5B (0.45) KMT2ARXFP1KDM5BCASR
Iodomethane SCHEMBL4286519 0.75 KDM5B (0.44) KDM5BCASR
SCHEMBL4285932 0.75 KDM5B (0.35) KDM5B
SCHEMBL24437107 0.72 KDM5B (0.33) KDM5B
SCHEMBL22017509 0.70
SCHEMBL14803746 0.66 ITGB1 (0.36) KDM5B
SCHEMBL22016780 0.63 LMNA (0.33) KDM5B
SCHEMBL16657587 0.63 POLB (0.34) KMT2AL3MBTL1

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (8 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KMT2A 4050/4885RXFP1 2998/4885KDM5B 1876/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KMT2A 3948/4885RXFP1 3116/4885KDM5B 1382/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KMT2A 2755/4885RXFP1 2319/4885KDM5B 1244/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KMT2A 4050/4885RXFP1 2998/4885KDM5B 1876/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KMT2A 2755/4885RXFP1 2319/4885KDM5B 1244/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KMT2A 4050/4885RXFP1 2998/4885KDM5B 1876/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KMT2A 2981/4885RXFP1 3033/4885KDM5B 903/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KMT2A 2755/4885RXFP1 2319/4885KDM5B 1244/4885

“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.