SCHEMBL29901385

SCHEMBL29901385

CN(CCCN)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 2/20 0.51
PPARG P37231 3/20 0.45
PPARA Q07869 1/20 0.45
HRH1 P35367 4/20 0.44
CHRM2 P08172 3/20 0.44
ADRA2A P08913 3/20 0.44
DRD1 P21728 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KCNH2 Q12809 3/20 0.44
ADRA1A P35348 2/20 0.44
ADRA2B P18089 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA2C P18825 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 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
SCHEMBL10653002 1.00 HRH3 (0.57) HRH3CYP2D6CYP2C19PPARGPPARA
Hydrochloric Acid SCHEMBL30516224 0.98 HRH3 (0.55) HRH3CYP2D6CYP2C19PPARGPPARA
SCHEMBL10652720 0.95 HRH3 (0.51) HRH3CYP2D6CYP2C19PPARGPPARA
SCHEMBL844392 0.89 CYP2D6 (0.55) HRH3CYP2D6CYP2C19PPARGPPARA
SCHEMBL6439932 0.84 CYP2D6 (0.53) CYP2D6CYP2C19PPARGPPARAHRH1
SCHEMBL8507125 0.81 CYP2D6 (0.59) HRH3CYP2D6CYP2C19HRH1CHRM2
SCHEMBL11260775 0.81 CYP2D6 (0.50) CYP2D6CYP2C19PPARGPPARAHRH1
SCHEMBL13220768 0.81 CYP2D6 (0.50) CYP2D6CYP2C19PPARGPPARAHRH1
SCHEMBL434743 0.79 CYP2D6 (0.56) CYP2D6CYP2C19PPARGPPARAHRH1
SCHEMBL4445537 0.79 CYP2D6 (0.72) HRH3CYP2D6CYP2C19PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP 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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS HRH3 2822/4885CYP2D6 3228/4885CYP2C19 3503/4885

“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.