SCHEMBL2801938

SCHEMBL2801938

CNC1CN(c2cc(N)nc(-c3ccccc3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
HTR3A P46098 1/20 0.39

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
SCHEMBL606704 0.78 HRH4 (0.57) HRH4
SCHEMBL605428 0.78 HRH4 (0.61) HRH4ADORA2AADORA1HRH3HTR3A
SCHEMBL603633 0.78 HRH4 (0.59) HRH4HRH3
Hydrochloric Acid SCHEMBL6512235 0.77 HRH3 (0.63) HRH4ADORA2AADORA1HRH3HTR3A
SCHEMBL23931315 0.76 HRH4 (0.41) HRH4HRH3
SCHEMBL30261044 0.76 HRH4 (0.41) HRH4HRH3
SCHEMBL606337 0.75 HRH4 (0.56) HRH4
SCHEMBL604007 0.73 HRH4 (0.53) HRH4
SCHEMBL21965412 0.72 BPTF (0.48) HRH4MEN1KMT2AHRH3HTR3A
Hydrochloric Acid SCHEMBL606821 0.71 HRH4 (0.67) HRH4HRH3HTR3A

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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-01 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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof CYP4B1, CYP3A4, CYP2C19 HRH4 240/4885MEN1 1959/4885KMT2A 2870/4885

“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.