SCHEMBL4089350

SCHEMBL4089350

Clc1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 1.00
CYP3A4 P08684 11/20 1.00
CYP2D6 P10635 9/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 1.00
CYP2C19 P33261 3/20 1.00
HSD17B10 Q99714 3/20 1.00
TDP1 Q9NUW8 1/20 1.00
ABCB1 P08183 1/20 0.78
CLK4 Q9HAZ1 4/20 0.73
TSHR P16473 3/20 0.73
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 2/20 0.68
LMNA P02545 3/20 0.59
ALOX15 P16050 2/20 0.59
GBA1 P04062 1/20 0.59
TP53 P04637 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 2/20 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
SCHEMBL1084135 0.88 ABCB1 (1.00) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4090291 0.86 ABCB1 (0.97) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4090866 0.86 CYP1A2 (0.75) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL1083844 0.84 SMAD3 (0.78) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4084986 0.84 ABCB1 (0.78) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL1083974 0.84 ABCB1 (0.78) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL1083837 0.84 HIF1A (0.76) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4091176 0.84 ABCB1 (0.78) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4085187 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4090141 0.83 ABCB1 (0.76) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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 CYP1A2 2477/4885CYP3A4 2113/4885CYP2D6 3010/4885

“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.