SCHEMBL1106488

SCHEMBL1106488

CC(C)c1cncc(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 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
SCHEMBL20193291 0.87 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL22543158 0.87 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL1162069 0.84 NOS3 (0.35) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL21473843 0.83
SCHEMBL20371710 0.83
SCHEMBL24002201 0.82 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL22764043 0.82 CYP3A4 (0.33) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL179349 0.82 CDK2 (0.44) NOS3NOS1NOS2CYP3A4CYP2C19
SCHEMBL20675998 0.82 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL2760432 0.82 NOS3 (0.48) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-11-02 US disclosed
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 WO disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 THE UNIVERSITY OF ROCHESTER 2023-09-21 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 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 (14 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-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 IRAK4, IRAK1, IRAK2 NOS3 4432/4885NOS1 3511/4885NOS2 4538/4885
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 NOS3 4030/4885NOS1 4069/4885NOS2 3600/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NOS3 2141/4885NOS1 3064/4885NOS2 2940/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NOS3 3935/4885NOS1 4188/4885NOS2 4063/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NOS3 1064/4885NOS1 1486/4885NOS2 1634/4885
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A NOS3 288/4885NOS1 128/4885NOS2 157/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 NOS3 77/4885NOS1 60/4885NOS2 84/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 NOS3 1464/4885NOS1 1430/4885NOS2 1514/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR NOS3 3167/4885NOS1 3280/4885NOS2 4113/4885
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof BAZ2A, BRD3, BRPF3 NOS3 3556/4885NOS1 4204/4885NOS2 4342/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NOS3 3046/4885NOS1 3353/4885NOS2 3250/4885
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA NOS3 2033/4885NOS1 2701/4885NOS2 2362/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 NOS3 2156/4885NOS1 2576/4885NOS2 3027/4885
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CRY1, MAPT, PYGL NOS3 2137/4885NOS1 2390/4885NOS2 2428/4885

“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.