SCHEMBL4091099

SCHEMBL4091099

COC(=O)c1ccc2nc(-c3ccccc3Cl)nc(N3CCN(C)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
CYP3A4 P08684 6/20 0.53
TSHR P16473 4/20 0.53
ABCB1 P08183 1/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
WDR5 P61964 1/20 0.52
RAD52 P43351 1/20 0.51
CYP2D6 P10635 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2C19 P33261 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 3/20 0.48
MAPK1 P28482 3/20 0.48
CLK4 Q9HAZ1 2/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL4091475 0.91 ABCB1 (0.57) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4097518 0.83 MEN1 (0.53) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4085214 0.83 CYP1A2 (0.59) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4085025 0.83 ABCB1 (0.60) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4103565 0.82 ABCB1 (0.50) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4099551 0.81 MEN1 (0.60) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4084460 0.81 ABCB1 (0.58) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4084446 0.81 TP53 (0.61) CYP1A2CYP3A4TSHRKMT2AMEN1
SCHEMBL4084986 0.80 ABCB1 (0.78) CYP1A2CYP3A4TSHRABCB1KMT2A
SCHEMBL4091249 0.80 CYP1A2 (0.54) CYP1A2CYP3A4TSHRABCB1KMT2A

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-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
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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 2113/4885TSHR 3396/4885

“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.