SCHEMBL7766918

SCHEMBL7766918

CC(C)(C)N1Cc2ccncc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
TIPARP Q7Z3E1 2/20 0.39
NAMPT P43490 15/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MMP9 P14780 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
SCHEMBL7771023 0.85 SIGMAR1 (0.46) SIGMAR1NAMPTCHRNB2CHRNA4
SCHEMBL803697 0.85 SIGMAR1 (0.46) SIGMAR1NAMPTCHRNB2CHRNA4MMP9
SCHEMBL19619569 0.83 NAMPT (0.40) SIGMAR1TIPARPNAMPTCHRNB2CHRNA4
SCHEMBL17402374 0.81 SIGMAR1 (0.39) SIGMAR1NAMPTCHRNB2CHRNA4
SCHEMBL24653353 0.79 SIGMAR1 (0.38) SIGMAR1TIPARPNAMPTCHRNB2CHRNA4
SCHEMBL256354 0.77 SIGMAR1 (0.46) SIGMAR1TIPARPNAMPTCHRNB2CHRNA4
SCHEMBL25522265 0.74 SIGMAR1 (0.42) SIGMAR1NAMPTCHRNB2CHRNA4MMP9
SCHEMBL861946 0.73 MAOA (0.44)
SCHEMBL19387968 0.73 NAMPT (0.57) NAMPT
SCHEMBL13966519 0.73 SIGMAR1 (0.36) SIGMAR1TIPARPNAMPTCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267323-A1 SYNTHESIS OF BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES, INC. 2022-08-25 US disclosed
US-20220177446-A1 ALKYNE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-06-09 US disclosed
US-20220144842-A1 IRAK INHIBITORS, PREPARATION METHOD AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-05-12 US disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-13 US disclosed
US-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-06 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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 (16 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-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF TYK2, ABL1, PTK2B SIGMAR1 4346/4885TIPARP 1306/4885NAMPT 2763/4885
US-20220144842-A1 IRAK INHIBITORS, PREPARATION METHOD AND MEDICINAL USES THEREOF IRAK2, IRAK4, IRAK1 SIGMAR1 4696/4885TIPARP 332/4885NAMPT 1564/4885
US-20220177446-A1 ALKYNE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF IRAK2, IRAK3, IRAK4 SIGMAR1 4700/4885TIPARP 278/4885NAMPT 2473/4885
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 SIGMAR1 3815/4885TIPARP 880/4885NAMPT 456/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 SIGMAR1 382/4885TIPARP 3718/4885NAMPT 49/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 SIGMAR1 4199/4885TIPARP 1117/4885NAMPT 1405/4885
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 SIGMAR1 284/4885TIPARP 4796/4885NAMPT 459/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 SIGMAR1 4365/4885TIPARP 221/4885NAMPT 1027/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 SIGMAR1 3981/4885TIPARP 928/4885NAMPT 291/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 SIGMAR1 1602/4885TIPARP 3710/4885NAMPT 407/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885TIPARP 4642/4885NAMPT 662/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 SIGMAR1 4343/4885TIPARP 1257/4885NAMPT 325/4885
US-20220267323-A1 SYNTHESIS OF BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC2 SIGMAR1 3614/4885TIPARP 375/4885NAMPT 263/4885
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 SIGMAR1 4880/4885TIPARP 233/4885NAMPT 1096/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 SIGMAR1 4365/4885TIPARP 221/4885NAMPT 1027/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 SIGMAR1 382/4885TIPARP 3718/4885NAMPT 49/4885

“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.