Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629025

SCHEMBL16629025

SCHEMBL16629025

BNC(=O)c1c(Cl)cccc1CC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 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
SCHEMBL14726659 0.91 CTSK (0.39) CTSKKCNA5HPGDHTTMAPK1
SCHEMBL14726580 0.90 CTSK (0.38) CTSKKCNA5HPGDHTTMAPK1
SCHEMBL14726538 0.89 KCNA5 (0.37) CTSKKCNA5HPGDHTTMAPK1
SCHEMBL14726628 0.88 CTSK (0.39) CTSKKCNA5HPGDHTTMAPK1
SCHEMBL30418511 0.88 CTSK (0.39) CTSKHPGDHTTMAPK1MITF
SCHEMBL28968277 0.88 CTSK (0.39) CTSKHPGDHTTMAPK1MITF
SCHEMBL14667047 0.88 CTSK (0.39) CTSKHPGDHTTMAPK1MITF
SCHEMBL28993006 0.86 ITGB1 (0.43) CTSKMAPTNPSR1
SCHEMBL20061313 0.86 ITGB1 (0.43) CTSKMAPTNPSR1
SCHEMBL29440976 0.86 ITGB1 (0.43) CTSKMAPTNPSR1

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-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 — — US disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 — — US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 — — US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 — — US disclosed
WO-2015143012-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS INFINITY PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 — — US disclosed
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 — — WO disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 — — 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-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CTSK 555/4885KCNA5 4354/4885HPGD 836/4885
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CTSK 555/4885KCNA5 4354/4885HPGD 836/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CTSK 555/4885KCNA5 4354/4885HPGD 836/4885

“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.