SCHEMBL22016466

SCHEMBL22016466

CCc1cc2cnccc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.40
MKNK2 Q9HBH9 3/20 0.39
BTK Q06187 1/20 0.39
KDM5A P29375 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 1/20 0.35
BRD4 O60885 2/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 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
SCHEMBL24312244 0.87 MAPT (0.41) BRPF1BTKKDM5AMAPTDAO
SCHEMBL10813893 0.80 BRPF1 (0.54) BRPF1MKNK2SMN1; SMN2KDM4EALDH1A1
SCHEMBL21957013 0.79 HASPIN (0.44) BRPF1MKNK2SMN1; SMN2MAPTDAO
SCHEMBL22016173 0.76 BRD1 (0.41) BRPF1MKNK2BTKSMN1; SMN2DAO
SCHEMBL24437253 0.76 FGFR1 (0.40) BRPF1MKNK2SMN1; SMN2NPC1ALDH1A1
SCHEMBL2736778 0.76 DAO (0.61) BRPF1SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL35211826 0.74 SIRT3 (0.45) BRPF1MKNK2SMN1; SMN2KDM4EALDH1A1
SCHEMBL31398177 0.74 CCNC (0.36) BTKKDM5AMAPTBRD4CDC7
SCHEMBL31192181 0.73 TRPM5 (0.38) BRD4
SCHEMBL29509124 0.72 MAPT (0.37) MKNK2SMN1; SMN2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN 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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BRPF1 2514/4885MKNK2 1304/4885BTK 132/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 BRPF1 2514/4885MKNK2 1304/4885BTK 132/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRPF1 2879/4885MKNK2 1347/4885BTK 93/4885

“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.