SCHEMBL12376643

SCHEMBL12376643

CC(C)(C)NC(=O)c1nccn(Cc2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 2/20 0.57
EGLN1 Q9GZT9 9/20 0.50
BRD4 O60885 2/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2281397 0.81 EGLN1 (0.58) MEN1KMT2AALDH1A1EGLN1BRD4
SCHEMBL2285307 0.81 HSP90AA1 (0.52) MEN1KMT2AALDH1A1EGLN1BRD4
SCHEMBL12376648 0.78 RIPK1 (0.50) MEN1KMT2AALDH1A1EGLN1SMN1; SMN2
SCHEMBL13101588 0.78 BRD4 (0.73) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL12376658 0.76 CNR2 (0.37) MEN1KMT2AALDH1A1BRD4
SCHEMBL13101593 0.74 ALDH1A1 (0.39) MEN1KMT2AALDH1A1EGLN1SMN1; SMN2
SCHEMBL13701754 0.73 BRD4 (0.73) ALDH1A1BRD4BRD2BRD3BRDT
SCHEMBL13101585 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1EGLN1BRD4
SCHEMBL12561531 0.72 RAB9A (0.46) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL13906172 0.72 RAB9A (0.48) MEN1KMT2ASMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (3 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MEN1 3149/4885KMT2A 4415/4885ALDH1A1 1635/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885ALDH1A1 1929/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885ALDH1A1 1929/4885

“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.