SCHEMBL4095086

SCHEMBL4095086

Clc1ccccc1-c1nc(NCCc2ccccn2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.64
CYP1A2 P05177 8/20 0.63
CYP3A4 P08684 8/20 0.63
CYP2C19 P33261 7/20 0.63
CLK4 Q9HAZ1 6/20 0.63
MAPK1 P28482 3/20 0.63
CYP2D6 P10635 7/20 0.59
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 3/20 0.59
METAP1 P53582 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
JAK2 O60674 1/20 0.59
PPP1CA P62136 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 4/20 0.57
USP2 O75604 4/20 0.57
CYP2C9 P11712 3/20 0.56
HSD17B10 Q99714 2/20 0.56
HIF1A Q16665 2/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL1084100 0.86 GBA1 (0.64) GBA1MAPK1ALDH1A1KMT2AMETAP1
SCHEMBL1083993 0.86 GBA1 (0.64) GBA1MAPK1ALDH1A1KMT2AMETAP1
SCHEMBL1064493 0.84 GBA1 (0.82) GBA1MAPK1ALDH1A1KMT2AMETAP1
SCHEMBL17799807 0.83 APP (0.68) GBA1CYP1A2ALDH1A1KMT2AMETAP1
SCHEMBL22201478 0.81 GBA1 (0.77) GBA1MAPK1ALDH1A1KMT2AMETAP1
SCHEMBL13300259 0.80 CYP1A2 (0.71) GBA1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL18354431 0.78 GBA1 (1.00) GBA1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL13984093 0.78 CYP1A2 (0.72) GBA1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4085082 0.77 CYP1A2 (0.70) GBA1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL1083779 0.76 CYP1A2 (0.80) GBA1CYP1A2CYP3A4CYP2C19CLK4

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 GBA1 2059/4885CYP1A2 2477/4885CYP3A4 2113/4885

“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.