SCHEMBL2625482

SCHEMBL2625482

Cc1cc(C(C)C)ncn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
UHRF1 Q96T88 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL786348 0.84 NOS3 (0.36) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL15806351 0.81 UHRF1 (0.32) UHRF1AAK1
SCHEMBL9455739 0.81 KDM4E (0.33) UHRF1KDM4EALDH1A1GAAAAK1
SCHEMBL11981609 0.81 APLNR (0.30) UHRF1ALDH1A1
SCHEMBL15806350 0.81 APLNR (0.30) UHRF1ALDH1A1
SCHEMBL25098459 0.81 UHRF1 (0.32) UHRF1AAK1
SCHEMBL11981613 0.81 UHRF1 (0.32) UHRF1AAK1
SCHEMBL15277642 0.81 APLNR (0.30) UHRF1ALDH1A1
SCHEMBL23989533 0.78 AAK1 (0.33) UHRF1KDM4EALDH1A1GAAAAK1
SCHEMBL21091000 0.78 UHRF1 (0.32) UHRF1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 US disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 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-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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 (15 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 NOS3 2866/4885NOS1 3050/4885NOS2 2708/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 NOS3 3259/4885NOS1 2106/4885NOS2 3694/4885
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 NOS3 4030/4885NOS1 4069/4885NOS2 3600/4885
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS NOS3 1682/4885NOS1 3071/4885NOS2 2840/4885
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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 NOS3 1172/4885NOS1 1417/4885NOS2 1166/4885
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-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 NOS3 4820/4885NOS1 4856/4885NOS2 4840/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 NOS3 1464/4885NOS1 1430/4885NOS2 1514/4885
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 NOS3 1409/4885NOS1 2916/4885NOS2 2016/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOS3 826/4885NOS1 394/4885NOS2 589/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 NOS3 1318/4885NOS1 1279/4885NOS2 1075/4885

“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.