SCHEMBL2467642

SCHEMBL2467642

CN(N)C(=O)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA6 P23280 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 3/20 0.53
EGLN2 Q96KS0 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HSD17B1 P14061 4/20 0.49
HSD17B2 P37059 4/20 0.49
FASN P49327 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL2645117 0.84 CA12 (0.57) PARP1CA12CA1CA2CA6
SCHEMBL29628546 0.84 CA12 (0.57) PARP1CA12CA1CA2CA6
SCHEMBL15649501 0.81 PARP1 (0.57) PARP1CA12CA1CA2CA6
SCHEMBL6832775 0.81 HPGD (0.61) PARP1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL11554303 0.79 PARP1 (0.58) PARP1KDM4EALDH1A1GAAMAPT
SCHEMBL30424341 0.79 PARP1 (0.58) PARP1KDM4EALDH1A1MAPTTSHR
SCHEMBL27453918 0.79 KMT2A (0.58) KDM4EALDH1A1MAPTTSHRKMT2A
Hydrochloric Acid SCHEMBL25222262 0.78 PARP1 (0.56) PARP1KDM4EALDH1A1MAPTTSHR
SCHEMBL22318570 0.78 CA12 (0.50) PARP1CA12CA1CA2CA6
SCHEMBL17119847 0.78 HSD17B1 (0.57) PARP1CA12CA1CA2CA6

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
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 US disclosed
EP-2550266-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION Amitech Therapeutics Solutions, Inc. (US) 2013-01-30 EP disclosed
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 WO disclosed
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 PARP1 1248/4885CA12 4839/4885CA1 4732/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 PARP1 1248/4885CA12 4839/4885CA1 4732/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 PARP1 1248/4885CA12 4839/4885CA1 4732/4885

“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.