SCHEMBL20724728

SCHEMBL20724728

O=C(Nc1cccnc1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.60
POLB P06746 1/20 0.59
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
CDK2 P24941 1/20 0.49
FLT4 P35916 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.48

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
SCHEMBL1420825 0.82 EPHX2 (0.68) EPHX2KMT2ARAB9A
SCHEMBL19808689 0.81 POLB (0.51) EPHX2POLBMEN1KMT2AUSP2
SCHEMBL9637653 0.77 MEN1 (0.77) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL30051982 0.77 MEN1 (0.77) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL4115733 0.75 EPHX2 (0.70) EPHX2POLBMEN1KMT2ARAB9A
SCHEMBL18028552 0.75 CYP1A2 (0.56) EPHX2
Hydrochloric Acid SCHEMBL29388210 0.75 MEN1 (0.74) MEN1KMT2ARAB9AHTTNPC1
Bromide SCHEMBL29417998 0.75 MEN1 (0.74) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL4112211 0.74 EPHX2 (0.64) EPHX2MEN1KMT2ARAB9ANPC1
SCHEMBL4112779 0.74 EPHX2 (1.00) EPHX2MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 EPHX2 1124/4885POLB 3403/4885MEN1 1504/4885

“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.