SCHEMBL803308

SCHEMBL803308

CNC1CN(c2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.47
HRH4 Q9H3N8 10/20 0.43
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PLD1 Q13393 1/20 0.42
HRH3 Q9Y5N1 3/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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 SCHEMBL785101 0.98 CHKA (0.45) CHKAHRH4ADRB2NCF1PLD1
SCHEMBL803326 0.85 HRH4 (0.59) HRH4
Hydrochloric Acid SCHEMBL784722 0.84 HRH4 (0.58) HRH4
SCHEMBL784528 0.83 HRH4 (0.57) CHKAHRH4ROCK2ROCK1
Hydrochloric Acid SCHEMBL28805789 0.81 HRH4 (0.56) CHKAHRH4ROCK2ROCK1
SCHEMBL784745 0.81 CHKA (0.53) CHKAHRH4ADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL785240 0.79 CHKA (0.52) CHKAHRH4ADRB2NCF1PLD1
SCHEMBL21965412 0.79 BPTF (0.48) HRH4HRH3KDM1AMAOB
SCHEMBL803311 0.77 HRH4 (0.51) HRH4HRH3
SCHEMBL2635959 0.76 MAPT (0.47) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CHKA 1330/4885HRH4 5/4885ADRB2 107/4885

“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.