SCHEMBL4090989

SCHEMBL4090989

Fc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.76
ABCB1 P08183 1/20 0.62
SMAD3 P84022 1/20 0.62
ACP1 P24666 2/20 0.62
TSHR P16473 5/20 0.57
LMNA P02545 4/20 0.57
MAPK1 P28482 3/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
METAP1 P53582 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 5/20 0.57
USP2 O75604 3/20 0.56
MEN1 O00255 1/20 0.56
CHEK2 O96017 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL4085263 0.99 HIF1A (0.79) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL5788913 0.90 CYP1A2 (0.63) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL5804844 0.90 CYP1A2 (0.63) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL4091345 0.90 CYP1A2 (0.66) HIF1AABCB1TSHRLMNAMAPK1
SCHEMBL4090769 0.90 CYP3A4 (0.67) HIF1ATSHRLMNAMAPK1KMT2A
SCHEMBL1083814 0.88 HIF1A (0.97) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL1084095 0.86 HIF1A (1.00) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL1084327 0.86 HIF1A (0.74) HIF1AABCB1SMAD3ACP1TSHR
SCHEMBL4089767 0.85 GBA1 (0.60) HIF1AABCB1SMAD3TSHRLMNA
SCHEMBL1084817 0.85 HIF1A (0.92) HIF1AABCB1SMAD3ACP1TSHR

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 HIF1A 1496/4885ABCB1 2120/4885SMAD3 1988/4885

“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.