SCHEMBL21921079

SCHEMBL21921079

Cc1ccn(C)c(=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.38
CREBBP Q92793 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
KDM4E B2RXH2 4/20 0.38
CYP2C9 P11712 2/20 0.38
KDM6A O15550 1/20 0.38
KDM4A O75164 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
DOHH Q9BU89 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
CRBN Q96SW2 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL27103932 0.79 BRD9 (0.39) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL17621624 0.76 BRD4 (0.41) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL19785547 0.76 BRD9 (0.37) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL2116642 0.76 BRD9 (0.41) BRD4CREBBPBRD9TAF1BRPF1
Hydrochloric Acid SCHEMBL30032118 0.74 BRD4 (0.39) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL24866845 0.74 HTR1A (0.39) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL21575044 0.73 BRD4 (0.38) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL20516739 0.73 BRD4 (0.38) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL6241906 0.73 BRD4 (0.38) BRD4CREBBPBRD9TAF1BRPF1
SCHEMBL24112194 0.73 ATAD2 (0.40) BRD4CREBBPBRD9TAF1BRPF1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 WO 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 (3 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 BRD4 1726/4885CREBBP 2325/4885BRD9 1617/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 BRD4 1525/4885CREBBP 2518/4885BRD9 956/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BRD4 1726/4885CREBBP 2325/4885BRD9 1617/4885

“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.