SCHEMBL4085082

SCHEMBL4085082

CC(C)(C)CCNc1nc(-c2ccccc2Cl)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 13/20 0.70
▸ CYP3A4 P08684 12/20 0.70
▸ CLK4 Q9HAZ1 9/20 0.70
▸ CYP2C19 P33261 8/20 0.70
▸ MAPK1 P28482 3/20 0.70
▸ CYP2D6 P10635 9/20 0.66
▸ ALDH1A1 P00352 8/20 0.66
▸ HSD17B10 Q99714 5/20 0.64
▸ CYP2C9 P11712 4/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ TSHR P16473 4/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ USP2 O75604 6/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.52

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
SCHEMBL13984093 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL13300259 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL1083779 0.79 CYP1A2 (0.80) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL4095086 0.77 GBA1 (0.64) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL4085083 0.77 CYP1A2 (0.69) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL4095601 0.76 CYP1A2 (0.61) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL1084069 0.75 CYP1A2 (0.72) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL1085596 0.75 CYP1A2 (1.00) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL13984337 0.75 ACP1 (0.74) CYP1A2CYP3A4CLK4CYP2C19MAPK1
SCHEMBL4090985 0.74 ABCG2 (0.71) CYP1A2CYP3A4CLK4CYP2C19MAPK1

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-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

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 2113/4885CLK4 1058/4885

“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.

Send feedback