SCHEMBL4091461

SCHEMBL4091461

FC(F)(F)c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
LMNA P02545 1/20 0.73
CYP1A2 P05177 5/20 0.67
USP2 O75604 5/20 0.67
CYP3A4 P08684 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
ALOX15 P16050 4/20 0.67
TSHR P16473 4/20 0.67
CYP2C19 P33261 3/20 0.67
CYP2D6 P10635 2/20 0.67
ALDH1A1 P00352 4/20 0.63
GBA1 P04062 2/20 0.63
TP53 P04637 2/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.59
MAPK1 P28482 3/20 0.58
CYP2C9 P11712 1/20 0.58
CASP7 P55210 1/20 0.58

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
SCHEMBL4095137 0.89 ACP1 (0.74) HTTLMNAUSP2TSHRALDH1A1
SCHEMBL4089879 0.88 MEN1 (0.74) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL4090807 0.88 ACP1 (0.75) HTTLMNAUSP2TSHRALDH1A1
SCHEMBL3748887 0.87 HTT (0.84) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL13342122 0.86 HTT (0.74) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL4085139 0.85 RAB9A (0.78) LMNACYP1A2USP2CYP3A4CLK4
SCHEMBL4088950 0.85 HTT (0.65) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL1083793 0.84 HTT (0.74) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL1083989 0.84 HTT (0.74) HTTLMNACYP1A2USP2CYP3A4
SCHEMBL1083909 0.81 HTT (0.71) HTTLMNACYP1A2USP2CYP3A4

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 HTT 4330/4885LMNA 2728/4885CYP1A2 2477/4885

“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.