SCHEMBL17471007

SCHEMBL17471007

CC(=O)NCCc1ncnc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
MTNR1A P48039 12/20 0.45
MTNR1B P49286 10/20 0.45
KDM4E B2RXH2 3/20 0.37
F13A1 P00488 1/20 0.37
BLM P54132 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL17470852 0.85 POLB (0.38) QPCTQPCTLMTNR1AMTNR1BKDM4E
SCHEMBL19412585 0.79
SCHEMBL18381296 0.79 TSHR (0.42) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL23019062 0.78 CYP1A2 (0.44) QPCTQPCTLKDM4ELMNACYP1A2
SCHEMBL27745562 0.76 HTT (0.36) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL22785768 0.76 CYP3A4 (0.36) HSD17B10CYP3A4
SCHEMBL17471006 0.75 MTNR1A (0.53) QPCTQPCTLMTNR1AMTNR1BBLM
SCHEMBL4400656 0.75 GABRR1 (0.53) QPCTQPCTLMTNR1AMTNR1BKDM4E
SCHEMBL20460450 0.74 MEN1 (0.38) KDM4ELMNAMEN1TSHRKMT2A
SCHEMBL7073447 0.73 HRH3 (0.41) CYP1A2MEN1KMT2AHTTMAPT

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 2 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 QPCT 229/4885QPCTL 2009/4885MTNR1A 2478/4885

“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.