SCHEMBL22017360

SCHEMBL22017360

CC(C)n1c(=O)c2cc(N(C)C)ccc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
HPD P32754 2/20 0.40
PIK3CG P48736 2/20 0.39
PLK1 P53350 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL24312051 0.84 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL24312203 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL22016212 0.78 PARG (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13376862 0.75 PGR (0.64) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16352662 0.74 ERCC1 (0.61) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL22016504 0.74 ATM (0.40) NPC1RAB9AGAAHPDMAPK14
SCHEMBL24312294 0.74 ADORA2B (0.40) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL26815145 0.70 AR (0.39) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL22017691 0.69 GRM4 (0.44) HPDBRPF1USP2ATMERCC1
SCHEMBL5167218 0.69 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT

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
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 KDM4E 1442/4885ALDH1A1 823/4885HSD17B10 3214/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885ALDH1A1 791/4885HSD17B10 2691/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885HSD17B10 3214/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885HSD17B10 3214/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885ALDH1A1 838/4885HSD17B10 3422/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885HSD17B10 3214/4885

“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.