SCHEMBL14416600

SCHEMBL14416600

CC(=O)CN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.86
HDAC4 P56524 5/20 0.86
HDAC1 Q13547 5/20 0.86
HDAC7 Q8WUI4 5/20 0.86
HDAC2 Q92769 5/20 0.86
HDAC10 Q969S8 5/20 0.86
HDAC11 Q96DB2 5/20 0.86
HDAC8 Q9BY41 5/20 0.86
HDAC6 Q9UBN7 5/20 0.86
HDAC9 Q9UKV0 5/20 0.86
HDAC5 Q9UQL6 5/20 0.86
ABL1 P00519 12/20 0.83
SRC P12931 9/20 0.83
LCK P06239 5/20 0.83
EGFR P00533 3/20 0.83
FYN P06241 3/20 0.83
YES1 P07947 3/20 0.83
LYN P07948 3/20 0.83
HCK P08631 3/20 0.83
KIT P10721 3/20 0.83

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
SCHEMBL29750253 0.94 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1704971 0.94 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL29817345 0.93 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13626293 0.93 ABL1 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1146496 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19362612 0.92 ABL1 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28914780 0.92 ABL1 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16569731 0.92 ABL1 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1147166 0.91 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13164781 0.91 ABL1 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 HDAC3 921/4885HDAC4 982/4885HDAC1 1279/4885

“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.