SCHEMBL2998562

SCHEMBL2998562

Cc1cn2cc(C(=O)O)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
DAO P14920 4/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 3/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LIG1 P18858 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL21760981 0.78 ALDH1A1 (0.43) WDR91KDM4EALDH1A1MEN1KMT2A
SCHEMBL10846423 0.74 ALDH1A1 (0.41) HCAR2DAOKDM4EALDH1A1MEN1
SCHEMBL27362665 0.71 TP53 (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1033020 0.71 TP53 (0.57) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL268708 0.71 HCAR2 (0.38) HCAR2DAOKDM4EALDH1A1MEN1
SCHEMBL21760927 0.69 WDR91 (0.33) WDR91CYP19A1
SCHEMBL10847806 0.67 KDM4E (0.37) HCAR2DAOKDM4EALDH1A1MEN1
SCHEMBL12597336 0.67 EGFR (0.50) KDM4EALDH1A1KMT2AMAPTPKM
SCHEMBL21760982 0.67 WDR91 (0.32) WDR91CYP19A1
SCHEMBL21760983 0.67 WDR91 (0.32) WDR91CYP19A1

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-8288411-B2 Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-05 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-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R WDR91 779/4885HCAR2 55/4885DAO 2041/4885

“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.