SCHEMBL4084416

SCHEMBL4084416

CC(C)(C)c1ccc2nc(-c3ccccc3Cl)nc(N3CCCC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.68
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2C19 P33261 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 1/20 0.55
SMAD3 P84022 1/20 0.49
TP53 P04637 3/20 0.48
HIF1A Q16665 2/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.46
STAT6 P42226 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACP1 P24666 2/20 0.45
GBA1 P04062 1/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4095143 0.99 ABCB1 (0.67) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4084473 0.91 MEN1 (0.58) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4092285 0.90 ABCB1 (0.55) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4091151 0.84 ABCB1 (0.76) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4100017 0.83 KMT2A (0.52) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4085728 0.82 ABCB1 (0.73) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4090614 0.82 ABCB1 (0.73) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4084996 0.82 ABCB1 (0.68) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4097448 0.82 ABCB1 (0.68) ABCB1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1084135 0.81 ABCB1 (1.00) ABCB1KMT2AMEN1CYP1A2CYP3A4

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 ABCB1 2120/4885KMT2A 1424/4885MEN1 718/4885

“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.