SCHEMBL4098753

SCHEMBL4098753

COc1ccc2nc(-c3ccc(C(C)(C)C)cc3)nc(N3CCCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
STAT6 P42226 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 4/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
SIRT1 Q96EB6 1/20 0.50
ACP1 P24666 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GBA1 P04062 2/20 0.47
NTSR1 P30989 3/20 0.46
PRKCI P41743 1/20 0.46

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
SCHEMBL4093185 0.87 MEN1 (0.51) KDM4EMEN1RAB9AKMT2ATP53
SCHEMBL4092114 0.84 MEN1 (0.57) KDM4ESTAT6NPSR1MEN1RAB9A
SCHEMBL4085268 0.83 MAPT (0.52) KDM4ENPSR1MEN1RAB9AKMT2A
SCHEMBL4096150 0.81 MEN1 (0.80) KDM4ENPSR1MEN1RAB9AKMT2A
SCHEMBL4092367 0.80 KMT2A (0.78) KDM4ENPSR1MEN1RAB9AKMT2A
SCHEMBL258630 0.77 PIK3CA (0.69) KDM4ESTAT6NPSR1MEN1RAB9A
SCHEMBL1083927 0.75 MAPT (0.68) KDM4ESTAT6NPSR1MEN1KMT2A
SCHEMBL4084996 0.75 ABCB1 (0.68) KDM4ESTAT6NPSR1MEN1KMT2A
SCHEMBL1084335 0.75 SMAD3 (0.68) KDM4ESTAT6NPSR1MEN1KMT2A
SCHEMBL4098760 0.74 ABCB1 (0.67) KDM4ESTAT6NPSR1MEN1KMT2A

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 3 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

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 KDM4E 1626/4885STAT6 3288/4885NPSR1 308/4885

“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.