SCHEMBL3401366

SCHEMBL3401366

CNC(=O)c1cnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.41
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4219879 0.86 HDAC1 (0.50) NOS1SMN1; SMN2HDAC6HDAC1HDAC3
SCHEMBL12800947 0.81 HDAC4 (0.45) NOS1TSHRSMN1; SMN2HDAC6HDAC1
SCHEMBL12455912 0.81 TP53 (0.44) NOS1POLBTSHRSMN1; SMN2HDAC6
SCHEMBL12801181 0.79 POLB (0.43) POLBSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL11956367 0.78 HCAR2 (0.62) POLBPKMKDM4EALDH1A1NPC1
SCHEMBL11650054 0.78 USP2 (0.46) POLBPKMSMN1; SMN2HDAC6HDAC1
SCHEMBL4519703 0.78
SCHEMBL12449167 0.78 GAA (0.42) POLBSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL11925404 0.78 LCK (0.42) NOS1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL33099 0.77 KDM4E (0.43) NOS1PKMTSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-16 US disclosed
US-20140179711-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 US disclosed
US-8680103-B2 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
US-8580786-B2 Triazine derivatives and their therapeutical applications NANT HOLDINGS IP, LLC (US) 2013-11-12 US disclosed
US-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8242270-B2 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
CN-101990541-A Fused heteroaryl modulators of glucocorticoid receptor, ap-1, and/or nf-kb activity and use thereof BRISTOL MYERS SQUIBB CO 2011-03-23 CN disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 US disclosed
EP-2247597-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-11-10 EP disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
US-20090149650-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-11 US disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 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 (7 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-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 NOS1 2041/4885POLB 4131/4885PKM 531/4885
US-20090149650-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 NOS1 2041/4885POLB 4131/4885PKM 531/4885
US-20140179711-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 NOS1 2041/4885POLB 4131/4885PKM 531/4885
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 NOS1 2103/4885POLB 2538/4885PKM 3530/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A NOS1 2149/4885POLB 2511/4885PKM 493/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 NOS1 1045/4885POLB 2821/4885PKM 936/4885
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY SUCNR1, CBR1, CYP2A13 NOS1 2376/4885POLB 3195/4885PKM 2224/4885

“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.