SCHEMBL13629973

SCHEMBL13629973

CC(c1cnccn1)C(C)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.34
HRH1 P35367 4/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL23169638 1.00 CYP2D6 (0.34) CYP2D6HRH1CYP3A4KDM4EALDH1A1
SCHEMBL18714321 0.79 KDM4E (0.37) CYP2D6HRH1CYP3A4KDM4EALDH1A1
SCHEMBL9963353 0.79 KDM4E (0.37) CYP2D6HRH1CYP3A4KDM4EALDH1A1
SCHEMBL20327882 0.79 KDM4E (0.37) CYP2D6HRH1CYP3A4KDM4EALDH1A1
SCHEMBL29738290 0.73
SCHEMBL681871 0.73
SCHEMBL20733950 0.70
SCHEMBL7382265 0.70
SCHEMBL20738688 0.70
SCHEMBL21515931 0.70

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-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-01-24 US disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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 (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-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 CYP2D6 1231/4885HRH1 4014/4885CYP3A4 640/4885
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 CYP2D6 1231/4885HRH1 4014/4885CYP3A4 640/4885
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CYP2D6 496/4885HRH1 4355/4885CYP3A4 549/4885

“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.