SCHEMBL1646533

SCHEMBL1646533

Cc1cc(C)nc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 1/20 0.44
CCR1 P32246 1/20 0.39
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MPI P34949 1/20 0.35
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
TERT O14746 1/20 0.33
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL29600243 1.00 NOS2 (0.44) NOS2NOS3NOS1CCR1ERN1
SCHEMBL10974012 0.87 NOS2 (0.43) NOS2NOS3NOS1CCR1ERN1
2-Pyridinecarboxaldehyde SCHEMBL3867891 0.82 RAB9A (0.42) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL25187916 0.77 ALDH1A1 (0.41) NOS2CCR1ERN1ALDH1A1SMN1; SMN2
SCHEMBL29953532 0.77 ALDH1A1 (0.41) NOS2CCR1ERN1ALDH1A1SMN1; SMN2
SCHEMBL12990641 0.77 NOS2 (0.37) NOS2CCR1ERN1ALDH1A1SMN1; SMN2
SCHEMBL3776650 0.77 CCR1 (0.37) CCR1ERN1ALDH1A1MAPTLMNA
SCHEMBL27261834 0.77 CCR1 (0.37) CCR1ERN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6551038 0.77 POLB (0.37) CCR1ERN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23444797 0.77 NOS2 (0.37) NOS2NOS3NOS1CCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-10669269-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-06-02 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 US disclosed
US-6166053-A Substituted condensation products of N-benzyl-3-idenylacetamides with heterocyclic aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-12-26 US disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6066634-A PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. (US) 2000-05-23 US disclosed
US-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
US-5948779-A APOPTOSIS; ANTICANCER AGENT CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 WO disclosed
EP-0129791-A2 Tetrahydropyridazinone derivatives, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-01-02 EP disclosed
US-4125530-A FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE MERCK & CO., INC. (US) 1978-11-14 US disclosed
US-4032522-A ANTI-GOUT, ANTI-HYPERURICEMIC MERCK & CO., INC. (US) 1977-06-28 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 (5 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-10669269-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors MUSK, FGFR1, PDGFRA NOS2 1317/4885NOS3 564/4885NOS1 1204/4885
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 NOS2 2362/4885NOS3 2035/4885NOS1 1449/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 NOS2 3823/4885NOS3 3105/4885NOS1 3711/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 NOS2 2362/4885NOS3 2035/4885NOS1 1449/4885
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NOS2 4512/4885NOS3 4312/4885NOS1 4242/4885

“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.