SCHEMBL1147167

SCHEMBL1147167

CCOC(=O)CN1CCN(c2cc(Nc3ncc(C(=O)N(Cl)c4ccccc4C)s3)nc(C)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.55
HDAC1 Q13547 6/20 0.55
BCR P11274 4/20 0.55
HDAC3 O15379 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
KIT P10721 5/20 0.53
SRC P12931 4/20 0.53
PKMYT1 Q99640 3/20 0.53
EPHB6 O15197 2/20 0.53
EGFR P00533 2/20 0.53
LCK P06239 2/20 0.53
FYN P06241 2/20 0.53

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
SCHEMBL1147168 0.92 HDAC1 (0.57) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL1147078 0.90 HDAC1 (0.58) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL1147002 0.90 HDAC1 (0.58) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL1147178 0.88 HDAC1 (0.57) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL1146867 0.85 ABL1 (0.53) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL19436382 0.82 ABL1 (0.48) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL15969973 0.82 ABL1 (0.64) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL1147166 0.82 HDAC3 (0.81) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL13637397 0.80 HDAC1 (0.68) ABL1HDAC1BCRHDAC3HDAC4
SCHEMBL22092305 0.80 LCK (0.50) ABL1HDAC1BCRHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169244-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-10-27 US disclosed
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-05-08 US disclosed
US-8426419-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-04-23 US disclosed
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2011-07-21 US disclosed
US-7888361-B2 anticancer; inhibits both BCR-ABL and histone deacetylase activity; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-(hydroxyamino)-2-oxoethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide CURIS, INC. (US) 2011-02-15 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 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 (5 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ABL1 1691/4885HDAC1 1/4885BCR 2044/4885
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF UGT1A6, PAH, CYP2B6 ABL1 428/4885HDAC1 1279/4885BCR 1645/4885
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885HDAC1 5/4885BCR 265/4885
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885HDAC1 5/4885BCR 265/4885
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885HDAC1 5/4885BCR 265/4885

“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.