SCHEMBL20181593

SCHEMBL20181593

COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ALPL P05186 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ROCK1 Q13464 7/20 0.56
ROCK2 O75116 6/20 0.56
CA9 Q16790 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
ACR P10323 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52

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
SCHEMBL13987009 0.87 GSK3B (0.54) MAPTLMNAALDH1A1ALPLNPC1
SCHEMBL20181611 0.80 ROCK1 (0.57) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL20181599 0.79 ROCK2 (0.74) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL20181589 0.79 MAPK1 (0.64) ALPLROCK1ROCK2ADORA3ADORA2A
SCHEMBL3109362 0.78 ROCK1 (0.74) ALDH1A1ROCK1ROCK2PRKG1GSK3A
SCHEMBL13986991 0.76 ROCK1 (0.63) ROCK1ROCK2PRKG1GSK3AGSK3B
SCHEMBL29033909 0.75 RAB9A (0.55) MAPTLMNAALDH1A1ALPLNPC1
SCHEMBL3110316 0.75 ROCK1 (0.59) ROCK1ROCK2PRKG1GSK3AGSK3B
SCHEMBL3102089 0.75 ROCK1 (0.58) MAPTALDH1A1SMN1; SMN2ROCK1ROCK2
SCHEMBL3104229 0.75 ROCK1 (0.59) ROCK1ROCK2PRKG1GSK3AGSK3B

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-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 US disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 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 (2 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-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 MAPT 2045/4885LMNA 2623/4885ALDH1A1 2699/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 MAPT 2045/4885LMNA 2623/4885ALDH1A1 2699/4885

“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.