SCHEMBL4084360

SCHEMBL4084360

FC(F)(F)Oc1ccc2nc(-c3ccc(Cl)cc3)nc(N3CCSCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.52
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GBA1 P04062 4/20 0.46
DHODH Q02127 2/20 0.46
CHRNA7 P36544 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
KIT P10721 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL4085088 0.90 EGLN1 (0.49) EGLN1NPSR1GBA1DHODHCHRNA7
SCHEMBL4095306 0.88 RAB9A (0.50) EGLN1CYP1A2CYP2C19ALDH1A1GBA1
SCHEMBL4091890 0.84 NPSR1 (0.57) EGLN1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4084947 0.84 ABCB1 (0.52) EGLN1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4090457 0.80 ALDH1A1 (0.48) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7267753 0.76 NPSR1 (0.63) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4100126 0.74 ABCB1 (0.64) NPSR1CYP1A2CYP2C19ALDH1A1GBA1
SCHEMBL4095231 0.73 ACP1 (0.58) EGLN1NPSR1CYP2C9ALDH1A1GBA1
SCHEMBL4088971 0.73 ABCB1 (0.63) NPSR1CYP1A2CYP2C19ALDH1A1GBA1
SCHEMBL4085184 0.72 ACP1 (0.69) NPSR1ALDH1A1GBA1ABCG2

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 EGLN1 2566/4885NPSR1 308/4885CYP1A2 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.