SCHEMBL4095375

SCHEMBL4095375

CC(C)(C)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)nc3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.74
KDM1A O60341 3/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ABCC1 P33527 3/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
PDE5A O76074 2/20 0.55
ABCB1 P08183 1/20 0.53
GBA1 P04062 1/20 0.53

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
SCHEMBL4085665 0.89 ABCG2 (0.95) ABCG2KDM1AMEN1KMT2ATP53
SCHEMBL4085140 0.88 ABCG2 (0.83) ABCG2KDM1AMEN1KMT2ATP53
SCHEMBL4084636 0.85 MEN1 (0.65) ABCG2MEN1KMT2AMAPTLMNA
SCHEMBL8087337 0.84 ABCG2 (0.85) ABCG2KDM1AMEN1KMT2ATP53
SCHEMBL13945462 0.81 ABCG2 (0.80) ABCG2KDM1AMEN1KMT2AABCC1
SCHEMBL2231290 0.80 ABCG2 (0.55) ABCG2MEN1KMT2AABCC1TP53
SCHEMBL2232337 0.80 KDM1A (0.70) ABCG2KDM1AMEN1KMT2AABCC1
SCHEMBL4092319 0.80 ABCG2 (0.74) ABCG2KDM1AABCC1TP53MAPT
SCHEMBL4085190 0.80 ABCG2 (0.74) ABCG2KDM1AMEN1KMT2AABCC1
SCHEMBL16404494 0.79 ABCG2 (0.95) ABCG2KDM1AMEN1KMT2AABCC1

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 ABCG2 3127/4885KDM1A 2492/4885MEN1 718/4885

“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.