SCHEMBL104235

SCHEMBL104235

CC(C)NCc1cnn(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PDE10A Q9Y233 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ACACB O00763 1/20 0.38
KDM1A O60341 1/20 0.38
TSHR P16473 1/20 0.38
SSTR3 P32745 1/20 0.38
PDE1A P54750 8/20 0.38
PDE1B Q01064 8/20 0.38
PDE1C Q14123 8/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL22267906 0.81 EP300 (0.43) ALDH1A1PDE10ASMN1; SMN2GAAMEN1
SCHEMBL17788460 0.79 ACHE (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL17788452 0.79 L3MBTL1 (0.42) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL23837167 0.78 ALDH1A1 (0.41) ALDH1A1PDE10ASMN1; SMN2GAAMEN1
SCHEMBL178397 0.78
SCHEMBL25546739 0.76
SCHEMBL16388797 0.75 GRN (0.50) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2264125 0.74 ALDH1A1 (0.44) ALDH1A1PDE10ASMN1; SMN2GAAMEN1
SCHEMBL23023123 0.74 SIGMAR1 (0.63) MAPK1TSHR
SCHEMBL16750101 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-9416111-B2 Substituted diazine and triazine spleen tyrosine kinease (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS MERCK SHARP & DOHME LLC 2015-06-18 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 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 (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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ALDH1A1 3128/4885PDE10A 2627/4885SMN1; SMN2 4581/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 ALDH1A1 257/4885PDE10A 2989/4885SMN1; SMN2 2190/4885
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS SYK, ZAP70, TYRO3 ALDH1A1 4142/4885PDE10A 3384/4885SMN1; SMN2 4108/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ALDH1A1 2884/4885PDE10A 2456/4885SMN1; SMN2 4072/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4035/4885PDE10A 2642/4885SMN1; SMN2 4341/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT ALDH1A1 799/4885PDE10A 4192/4885SMN1; SMN2 2954/4885

“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.