SCHEMBL4097518

SCHEMBL4097518

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ABCB1 P08183 1/20 0.49
TSPO P30536 1/20 0.48
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
HIF1A Q16665 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
HPGD P15428 2/20 0.45
RAD52 P43351 1/20 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
SCHEMBL4099970 0.91 MEN1 (0.52) MEN1KMT2AABCB1TSPOCYP1A2
SCHEMBL4090994 0.90 CYP1A2 (0.50) MEN1KMT2AABCB1TSPOCYP1A2
SCHEMBL4098201 0.88 KMT2A (0.51) MEN1KMT2AABCB1TSPOCYP1A2
SCHEMBL4091475 0.88 ABCB1 (0.57) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL4091099 0.83 CYP1A2 (0.53) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL4103665 0.83 MEN1 (0.52) MEN1KMT2AABCB1TSPOCYP1A2
SCHEMBL4099459 0.81 KMT2A (0.51) MEN1KMT2AABCB1TSPOCYP1A2
SCHEMBL4099551 0.81 MEN1 (0.60) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL4085025 0.81 ABCB1 (0.60) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL4084460 0.79 ABCB1 (0.58) MEN1KMT2AABCB1CYP1A2CYP3A4

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

“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.