SCHEMBL10199545

SCHEMBL10199545

CC(C)c1ccnc(NC(=O)C2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.61
ACVRL1 P37023 3/20 0.57
GSK3B P49841 9/20 0.57
MAPT P10636 2/20 0.55
TYK2 P29597 2/20 0.55
PIK3C3 Q8NEB9 3/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
CDK9 P50750 1/20 0.50
JAK3 P52333 1/20 0.50
ABL1 P00519 1/20 0.50

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
SCHEMBL25982921 0.89 BRAF (0.51) BRAFACVRL1GSK3BMAPTTYK2
SCHEMBL15358565 0.88 ACVRL1 (0.55) BRAFACVRL1GSK3BMAPTTYK2
Hydrochloric Acid SCHEMBL15350559 0.87 ACVRL1 (0.53) BRAFACVRL1GSK3BMAPTTYK2
SCHEMBL19558436 0.86 ACVRL1 (0.58) ACVRL1GSK3BMAPTTYK2PIK3C3
SCHEMBL15358584 0.83 TYK2 (0.50) BRAFACVRL1GSK3BMAPTTYK2
SCHEMBL15358580 0.83 TYK2 (0.50) BRAFACVRL1GSK3BMAPTTYK2
Hydrochloric Acid SCHEMBL15350753 0.82 TYK2 (0.49) BRAFACVRL1GSK3BMAPTTYK2
Hydrochloric Acid SCHEMBL15350150 0.82 TYK2 (0.49) BRAFACVRL1GSK3BMAPTTYK2
SCHEMBL84076 0.81 L3MBTL1 (0.52) BRAFTYK2PIK3C3JAK2JAK1
SCHEMBL22187902 0.81 TYK2 (0.53) BRAFACVRL1GSK3BMAPTTYK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
WO-2023009709-A1 PYRAZOLO PIPERAZINES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (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-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 BRAF 636/4885ACVRL1 4767/4885GSK3B 724/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 BRAF 1215/4885ACVRL1 4442/4885GSK3B 66/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ACVRL1 3528/4885GSK3B 451/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ACVRL1 3528/4885GSK3B 451/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 BRAF 242/4885ACVRL1 3752/4885GSK3B 356/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 BRAF 215/4885ACVRL1 3724/4885GSK3B 335/4885

“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.