SCHEMBL19413331

SCHEMBL19413331

CC(C)(C)C(=O)NCc1cnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
GABRA1 P14867 1/20 0.47
NFKB1 P19838 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRR2 P28476 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PMP22 Q01453 2/20 0.46
MAPT P10636 1/20 0.46
ADRA1A P35348 1/20 0.44
PKM P14618 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL14518611 0.84 QPCT (0.69) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL20417155 0.83 QPCT (0.46) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL16136337 0.81 QPCT (0.70) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL13714486 0.81 QPCT (0.49) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL20625835 0.79 HRH3 (0.44) QPCTQPCTLHRH3HRH4
SCHEMBL19413330 0.79 HRH3 (0.44) QPCTQPCTLHRH3HRH4
SCHEMBL13743314 0.75 CYP3A4 (0.52) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL8907354 0.74 ALDH1A1 (0.61) QPCTQPCTLALDH1A1CYP3A4TSHR
SCHEMBL19319069 0.71 HDAC6 (0.44) KDM4EMAPTPOLB
SCHEMBL31188605 0.71 TAAR1 (0.55) ALDH1A1CYP3A4TSHRGABRA1NFKB1

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-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-01-08 US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 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 (2 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-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 QPCT 229/4885QPCTL 2009/4885ALDH1A1 594/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 QPCT 229/4885QPCTL 2009/4885ALDH1A1 594/4885

“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.