SCHEMBL4293887

SCHEMBL4293887

Nc1cc2c[c]ccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.55
PIK3CB P42338 1/20 0.38
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
NOS1 P29475 2/20 0.34
ABL1 P00519 2/20 0.34
FGFR1 P11362 2/20 0.34
SRC P12931 2/20 0.34

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
SCHEMBL15515938 0.76 GRM4 (0.31)
SCHEMBL1594947 0.76 MAPT (0.38)
SCHEMBL195199 0.72 MAPT (0.39) PIK3CB
Isoquinolin-3-Amine SCHEMBL29975748 0.72 PDPK1 (1.00) PDPK1PIK3CBNOS3NOS2NOS1
Isoquinolin-3-Amine SCHEMBL30378027 0.72 PDPK1 (1.00) PDPK1PIK3CBNOS3NOS2NOS1
Isoquinolin-3-Amine SCHEMBL177520 0.72 PDPK1 (1.00) PDPK1PIK3CBNOS3NOS2NOS1
SCHEMBL70257 0.70
SCHEMBL559813 0.70
SCHEMBL4765233 0.70 PDPK1 (0.64) PDPK1PIK3CBNOS3NOS2NOS1
Isoquinolin-3-Amine SCHEMBL28187424 0.70 PDPK1 (0.95) PDPK1PIK3CBNOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO claimed
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP claimed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US claimed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US claimed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO claimed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US claimed
CN-117209469-A Compounds as CLK inhibitors and uses thereof 南京圣和药物研发有限公司 2023-12-12 CN disclosed
EP-3752492-B1 FUNGICIDAL OXADIAZOLES BAYER AG (DE) 2022-12-21 EP disclosed
US-20210009541-A1 FUNGICIDAL OXADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 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 (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-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 PDPK1 249/4885PIK3CB 1500/4885NOS3 113/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 PDPK1 249/4885PIK3CB 1500/4885NOS3 113/4885
US-20210009541-A1 FUNGICIDAL OXADIAZOLES OXA1L, CYP51A1, CYP4X1 PDPK1 1568/4885PIK3CB 1452/4885NOS3 149/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 PDPK1 249/4885PIK3CB 1500/4885NOS3 113/4885
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 PDPK1 2419/4885PIK3CB 2799/4885NOS3 4042/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PDPK1 70/4885PIK3CB 536/4885NOS3 2232/4885

“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.