SCHEMBL4098760

SCHEMBL4098760

COc1ccc2nc(-c3ccccc3Cl)nc(N3CCCCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.67
CYP1A2 P05177 6/20 0.54
CYP2D6 P10635 5/20 0.54
CYP3A4 P08684 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HIF1A Q16665 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
STAT6 P42226 1/20 0.53
LMNA P02545 2/20 0.50
SMAD3 P84022 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL4084996 0.99 ABCB1 (0.68) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4085214 0.90 CYP1A2 (0.59) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4091007 0.89 ABCB1 (0.55) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4088971 0.86 ABCB1 (0.63) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL1083927 0.85 MAPT (0.68) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL1084335 0.85 SMAD3 (0.68) ABCB1MEN1KMT2AMAPTHSD17B10
SCHEMBL4100126 0.85 ABCB1 (0.64) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4091151 0.83 ABCB1 (0.76) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4085061 0.82 MEN1 (0.53) ABCB1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL4097543 0.82 ABCB1 (0.67) ABCB1CYP1A2CYP2D6CYP3A4MEN1

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 ABCB1 2120/4885CYP1A2 2477/4885CYP2D6 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.