SCHEMBL4092997

SCHEMBL4092997

CN(c1nc(-c2ccccc2Cl)nc2ccccc12)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.61
MAPK1 P28482 3/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHEK2 O96017 1/20 0.54
CYP1A2 P05177 5/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
TSPO P30536 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 2/20 0.49
ABCB1 P08183 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CLK4 Q9HAZ1 3/20 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
SCHEMBL1084276 0.85 CHEK2 (0.72) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL4863775 0.83 GBA1 (0.80) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL4095595 0.82 CYP1A2 (0.57) GBA1MAPK1TSHRCYP1A2CYP2D6
SCHEMBL4092209 0.82 POLB (0.53) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL4867366 0.82 GBA1 (0.79) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL1083911 0.80 CYP2D6 (0.70) MAPK1TSHRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL8133428 0.77 GBA1 (0.59) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL18354441 0.76 GBA1 (1.00) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL18354341 0.76 GBA1 (1.00) GBA1MAPK1POLBTSHRSMN1; SMN2
SCHEMBL13732933 0.76 GBA1 (0.65) GBA1MAPK1POLBTSHRSMN1; SMN2

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 2059/4885MAPK1 2435/4885POLB 4057/4885

“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.