SCHEMBL4085125

SCHEMBL4085125

Clc1ccccc1-c1nc(NCCCn2ccnc2)c2ccccc2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.75
GSK3B P49841 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 6/20 0.66
SOD1 P00441 3/20 0.58
CYP1A2 P05177 9/20 0.57
CYP3A4 P08684 9/20 0.57
CYP2C19 P33261 9/20 0.57
CLK4 Q9HAZ1 6/20 0.57
MAPK1 P28482 3/20 0.57
CYP2D6 P10635 8/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 3/20 0.57
ALOX15 P16050 1/20 0.57
HIF1A Q16665 1/20 0.57
USP2 O75604 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL3978895 0.80 GSK3A (0.79) GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1
SCHEMBL13984337 0.79 ACP1 (0.74) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13984093 0.79 CYP1A2 (0.72) ALDH1A1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4095327 0.78 CYP1A2 (0.55) GSK3AGSK3BSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3976448 0.78 GSK3A (0.76) GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1
SCHEMBL4084663 0.77 CYP1A2 (0.88) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13300259 0.76 CYP1A2 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL7749401 0.75 ALDH1A1 (0.59) GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1
SCHEMBL4085082 0.73 CYP1A2 (0.70) ALDH1A1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4095086 0.73 GBA1 (0.64) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19

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 3 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

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 GSK3A 1644/4885GSK3B 1373/4885SMN1; SMN2 1281/4885

“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.