SCHEMBL16136343

SCHEMBL16136343

CCC(=O)NCCc1nc2ccccc2n1C

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.81
ALDH1A1 P00352 1/20 0.70
RECQL P46063 1/20 0.70
POLB P06746 1/20 0.68
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
HTT P42858 2/20 0.65
GAA P10253 2/20 0.65
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
KMT2A Q03164 1/20 0.61

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
SCHEMBL17050825 0.86 ALDH1A1 (0.74) TSHRALDH1A1RECQLPOLBNPC1
SCHEMBL8401361 0.86 MAPT (0.69) TSHRRECQLPOLBNPC1RAB9A
SCHEMBL18381424 0.84 TSHR (0.76) TSHRALDH1A1RECQLPOLBGAA
SCHEMBL16133680 0.83 ALDH1A1 (1.00) TSHRALDH1A1RECQLPOLBGAA
SCHEMBL3539326 0.80 ALDH1A1 (0.72) TSHRALDH1A1RECQLPOLBGAA
SCHEMBL13406090 0.79 TSHR (0.62) TSHRALDH1A1RECQLNPC1RAB9A
SCHEMBL19265679 0.78 ALDH1A1 (0.62) TSHRALDH1A1RECQLPOLBNPC1
SCHEMBL20715450 0.78 POLB (0.83) POLBRAB9AHTTGAATP53
SCHEMBL13406088 0.78 TSHR (0.60) TSHRALDH1A1RECQLNPC1RAB9A
SCHEMBL16768668 0.77 ALDH1A1 (0.73) TSHRALDH1A1RECQLNPC1RAB9A

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-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 TSHR 4516/4885ALDH1A1 594/4885RECQL 870/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 TSHR 4516/4885ALDH1A1 594/4885RECQL 870/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 TSHR 4516/4885ALDH1A1 594/4885RECQL 870/4885

“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.