SCHEMBL18249504

SCHEMBL18249504

COC(=O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.68
ROCK2 O75116 5/20 0.68
TACR3 P29371 4/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
MME P08473 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
TACR2 P21452 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL20181599 0.85 ROCK2 (0.74) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL28955090 0.82 ADORA3 (0.53) ROCK1ROCK2TACR3ADORA3ADORA2A
SCHEMBL18254900 0.81 ROCK2 (1.00) ROCK1ROCK2MMEGSK3BRPS6KA3
SCHEMBL28955091 0.76 ROCK2 (0.51) ROCK1ROCK2TACR3TP53MAPT
SCHEMBL20181611 0.73 ROCK1 (0.57) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL20181589 0.72 MAPK1 (0.64) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL21787634 0.72 MAPT (0.58) TACR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL20181593 0.71 MAPT (0.58) ROCK1ROCK2ADORA3ADORA2AADORA2B
SCHEMBL4788746 0.71 GAA (0.75) MAPTGAAHDAC3HDAC4HDAC1
SCHEMBL20181396 0.70 ROCK1 (0.78) ROCK1ROCK2TACR3ADORA3ADORA2A

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 18 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-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2020-08-13 US disclosed
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2020-08-13 US disclosed
US-10633393-B2 Heterocyclic compounds as kinase inhibitors Translational Drug Development (US) 2020-04-28 US disclosed
US-10633393-B2 Heterocyclic compounds as kinase inhibitors Translational Drug Development (US) 2020-04-28 US disclosed
EP-3541806-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Translational Drug Development, LLC (US) 2019-09-25 EP disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 US disclosed
US-10392402-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2019-08-27 US disclosed
US-10392402-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2019-08-27 US disclosed
US-20180141959-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2018-05-24 US disclosed
US-20180141959-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2018-05-24 US disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 WO disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 WO disclosed
EP-3297437-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2018-03-28 EP disclosed
WO-2016187324-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TD2, INC. (US) 2016-11-24 WO disclosed
WO-2016187324-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TD2, INC. (US) 2016-11-24 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 (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-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885
US-20180141959-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885
US-10392402-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885
US-10633393-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885TACR3 1418/4885

“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.