SCHEMBL17050825

SCHEMBL17050825

CC(=O)NCCc1nc2ccccc2n1C

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
RECQL P46063 1/20 0.74
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
GAA P10253 1/20 0.67
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
HDAC6 Q9UBN7 1/20 0.63
ATM Q13315 1/20 0.61
MAPT P10636 2/20 0.59

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
SCHEMBL16136343 0.86 TSHR (0.81) ALDH1A1RECQLTSHRPOLBGAA
SCHEMBL13649464 0.85 MAPT (0.72) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL16133680 0.85 ALDH1A1 (1.00) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL23638514 0.82 NPC1 (0.57) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL3539326 0.82 ALDH1A1 (0.72) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL18381424 0.81 TSHR (0.76) ALDH1A1RECQLTSHRPOLBGAA
SCHEMBL19265679 0.80 ALDH1A1 (0.62) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL9696974 0.80 RAB9A (0.55) ALDH1A1RECQLTSHRPOLBL3MBTL1
SCHEMBL16768668 0.80 ALDH1A1 (0.73) ALDH1A1RECQLTSHRL3MBTL1GAA
SCHEMBL10064150 0.79 ALDH1A1 (0.60) ALDH1A1RECQLTSHRPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 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-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 ALDH1A1 594/4885RECQL 870/4885TSHR 4516/4885

“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.