SCHEMBL4823978

SCHEMBL4823978

COc1ccccc1CNc1ccnc(Cl)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.70
CYP3A4 P08684 16/20 0.70
CYP2D6 P10635 16/20 0.70
CYP2C19 P33261 15/20 0.70
TSHR P16473 12/20 0.70
USP2 O75604 10/20 0.70
HSD17B10 Q99714 7/20 0.68
ALOX15 P16050 6/20 0.68
CLK4 Q9HAZ1 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
CYP2C9 P11712 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 7/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
TP53 P04637 2/20 0.60
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.54

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
SCHEMBL34462816 0.86 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL34462921 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5752435 0.83 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4861102 0.83 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3452299 0.83 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL34462910 0.82 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL34462729 0.81 MAP4K4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL14486766 0.80 CYP3A4 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL34462796 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2042230 0.78 ALDH1A1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19TSHR

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
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
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 1697/4885CYP3A4 1381/4885CYP2D6 2192/4885

“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.