SCHEMBL18239409

SCHEMBL18239409

N[C@H]1CCN(c2cnccn2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HRH4 Q9H3N8 8/20 0.48
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
RXFP1 Q9HBX9 1/20 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
Hydrochloric Acid SCHEMBL18228248 0.98 KDM4E (0.48) KDM4EHRH4DPP4DPP8DPP9
SCHEMBL23498149 0.90 KMT2A (0.48) HRH4ROCK2ROCK1CDC42BPB
SCHEMBL15029579 0.90 KMT2A (0.48) HRH4ROCK2ROCK1CDC42BPB
SCHEMBL1346067 0.89 KDM4E (0.55) KDM4EGPR119HRH3RXFP1
Hydrochloric Acid SCHEMBL20141683 0.88 KDM4E (0.54) KDM4EGPR119HRH3RXFP1
SCHEMBL20064219 0.85 GRM1 (0.44) KDM4EHRH4DPP4DPP8DPP9
SCHEMBL1267664 0.79 KDM4E (0.49) KDM4EDPP4DPP8DPP9DPP7
SCHEMBL24928451 0.79 KDM4E (0.52) KDM4EDPP4DPP8DPP9DPP7
SCHEMBL13035375 0.79 KDM4E (0.52) KDM4EGPR119RXFP1
SCHEMBL30718898 0.79 KDM4E (0.52) KDM4EDPP4DPP8DPP9DPP7

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 KDM4E 1664/4885HRH4 854/4885DPP4 3319/4885

“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.