SCHEMBL4859059

SCHEMBL4859059

Clc1nccc(NCCc2ccccn2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
APP P05067 4/20 0.58
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIM1 P11309 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.43
OGA O60502 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 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
SCHEMBL4820080 0.94 CYP1A2 (0.57) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL13406330 0.82 CYP1A2 (0.60) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL4385626 0.81 ACHE (0.58) CYP1A2APPALDH1A1LMNATAAR1
SCHEMBL9093601 0.79 CYP1A2 (0.69) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL27513658 0.79 CYP1A2 (1.00) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL19751933 0.78 CYP1A2 (0.84) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL1310511 0.78 CYP1A2 (0.58) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL13406340 0.77 CYP1A2 (0.57) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL18488976 0.77 CYP1A2 (0.53) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL27110167 0.77 HRH4 (0.38) CYP1A2APPHRH3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 CYP1A2 1697/4885APP 2111/4885HRH3 89/4885

“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.