SCHEMBL22016202

SCHEMBL22016202

Cc1nc(C)n(C)c(=O)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.45
KDM5A P29375 1/20 0.41
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CASR P41180 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
JAK2 O60674 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 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
SCHEMBL22016203 0.76 KMT2A (0.33) KDM5BKMT2ARXFP1CASR
SCHEMBL13024703 0.73 SMN1; SMN2 (0.35) LMNASMN1; SMN2KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL27173500 0.69 KDM4E (0.31) LMNAALDH1A1KDM4E
SCHEMBL10093819 0.69
SCHEMBL24759398 0.68 KDM4E (0.35) LMNAKMT2ARXFP1ALDH1A1HPGD
SCHEMBL27560590 0.68 KMT2A (0.33) KMT2ARXFP1
SCHEMBL22016875 0.65 LMNA (0.39) LMNAKMT2AADORA3
SCHEMBL14803801 0.65 LMNA (0.43) LMNAKMT2ARXFP1ALDH1A1HPGD
SCHEMBL26111728 0.64 KDM4E (0.31) LMNAALDH1A1KDM4E
SCHEMBL3524132 0.64 ALDH1A1 (0.32) KDM5ALMNASMN1; SMN2ALDH1A1HPGD

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 9 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 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 (9 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 KDM5B 1876/4885KDM5A 3004/4885LMNA 2479/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM5B 1382/4885KDM5A 2534/4885LMNA 3437/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5B 1244/4885KDM5A 2386/4885LMNA 2900/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM5B 1876/4885KDM5A 3004/4885LMNA 2479/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5B 1244/4885KDM5A 2386/4885LMNA 2900/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM5B 1876/4885KDM5A 3004/4885LMNA 2479/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM5B 903/4885KDM5A 2656/4885LMNA 2991/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM5B 1876/4885KDM5A 3004/4885LMNA 2479/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM5B 1244/4885KDM5A 2386/4885LMNA 2900/4885

“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.