SCHEMBL1663771

SCHEMBL1663771

Nc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.74
CHEK1 O14757 2/20 0.64
PIM1 P11309 2/20 0.64
ALDH1A1 P00352 1/20 0.64
RPS6KA3 P51812 1/20 0.64
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
PRKCI P41743 1/20 0.52
KDM4A O75164 1/20 0.51
KDM4B O94953 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL2081677 0.85 PARP1 (1.00) PARP1CHEK1PIM1PDPK1CA12
SCHEMBL28417372 0.82 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29967106 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29873118 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29440617 0.78 PIM1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL144026 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL1690531 0.78 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL24819 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL391295 0.78 PIM1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL643424 0.78 ALDH1A1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US claimed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO claimed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US claimed
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
US-4639477-A AZO DYES CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
US-4116959-A ISOINDOLINE PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-09-26 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 (4 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B PARP1 2645/4885CHEK1 233/4885PIM1 1861/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT PARP1 1437/4885CHEK1 964/4885PIM1 1198/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PARP1 1437/4885CHEK1 964/4885PIM1 1198/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA PARP1 2298/4885CHEK1 2195/4885PIM1 655/4885

“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.