SCHEMBL4532764

SCHEMBL4532764

CN(C)Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A4 P31645 1/20 0.44
CYP3A4 P08684 2/20 0.44
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
PDE4A P27815 1/20 0.44
BLM P54132 1/20 0.44
PDE1B Q01064 1/20 0.44
PMP22 Q01453 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE7B Q9NP56 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL13159490 0.88 ALDH1A1 (0.47) ALDH1A1HIF1ASLC6A4CYP3A4PDE2A
SCHEMBL2173166 0.84 ALDH1A1 (0.58) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL12955135 0.84 ALDH1A1 (0.58) ALDH1A1HIF1ACYP3A4TDP1TSHR
SCHEMBL2012102 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AAPEX1TDP1TSHR
SCHEMBL18186393 0.83 ALDH1A1 (0.48) ALDH1A1HIF1AGAAHTTL3MBTL1
SCHEMBL24723083 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL10417384 0.83 L3MBTL1 (0.55) ALDH1A1TDP1TSHRGAAL3MBTL1
SCHEMBL4513265 0.83 HSD17B10 (0.56) ALDH1A1SLC6A4CYP3A4PDE2APDE5A
SCHEMBL4532457 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL7492893 0.82 ALDH1A1 (0.48) ALDH1A1HIF1AAPEX1BLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466841-B2 Substituted pyrrolo[3,4-c]pyridines as HPK1 antagonists Nimbus Saturn, Inc. (US) 2025-11-11 US disclosed
US-12071442-B2 Substituted pyrrolo[3,4-c]pyridines as HPK1 antagonists Nimbus Saturn, Inc. (US) 2024-08-27 US disclosed
US-20240190895-A1 SUBSTITUTED PYRROLO[3,4-c]PYRIDINES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-06-13 US disclosed
CN-117377673-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-01-09 CN disclosed
US-20220363695-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2022-11-17 US disclosed
US-RE48731-E1 Dihydronaphthyridines and related compounds useful as kinase inhibitors for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2021-09-14 US disclosed
EP-3722296-A2 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC (US) 2020-10-14 EP disclosed
EP-3366293-B1 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2020-03-11 EP disclosed
EP-3366293-A1 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC (US) 2018-08-29 EP disclosed
EP-2858646-B1 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R ALDH1A1 1929/4885HIF1A 2010/4885SLC6A4 2907/4885
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R ALDH1A1 2632/4885HIF1A 1690/4885SLC6A4 148/4885
US-20220363695-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ALDH1A1 4740/4885HIF1A 1032/4885SLC6A4 4276/4885
US-12466841-B2 Substituted pyrrolo[3,4-c]pyridines as HPK1 antagonists PDXK, HIPK1, HIPK3 ALDH1A1 4707/4885HIF1A 891/4885SLC6A4 3414/4885
US-12071442-B2 Substituted pyrrolo[3,4-c]pyridines as HPK1 antagonists PDXK, HIPK1, PGK1 ALDH1A1 4487/4885HIF1A 621/4885SLC6A4 3716/4885
US-20240190895-A1 SUBSTITUTED PYRROLO[3,4-c]PYRIDINES AS HPK1 ANTAGONISTS PDXK, HIPK1, HIPK3 ALDH1A1 4707/4885HIF1A 891/4885SLC6A4 3414/4885

“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.