SCHEMBL4095327

SCHEMBL4095327

CN(CCCn1ccnc1)c1nc(-c2ccccc2Cl)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
GBA1 P04062 5/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 3/20 0.44

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
SCHEMBL4090410 0.81 MAPT (0.61) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4085125 0.78 GSK3A (0.75) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4090908 0.77 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1083911 0.73 CYP2D6 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1083853 0.72 ACP1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4092298 0.70 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL13300275 0.69 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4095595 0.69 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1084232 0.67 MAPT (0.52) CYP1A2CYP2D6CYP2C19LMNAMAPT
SCHEMBL4090611 0.66 PDE5A (0.63) CYP1A2CYP3A4CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 CYP1A2 2477/4885CYP3A4 2113/4885CYP2D6 3010/4885

“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.