SCHEMBL4092356

SCHEMBL4092356

CCOC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cc(C(=O)NC)ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMYD3 Q9H7B4 6/20 0.50
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR2 Q92731 1/20 0.44
P2RY12 Q9H244 3/20 0.43
GBA1 P04062 1/20 0.43
IDE P14735 1/20 0.42
HDAC3 O15379 1/20 0.42
MTOR P42345 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL13984097 0.91 KMT2A (0.50) KMT2AMEN1SMYD3ABCB1ALDH1A1
SCHEMBL4099812 0.91 MEN1 (0.50) KMT2AMEN1SMYD3ABCB1ALDH1A1
SCHEMBL4095415 0.91 KMT2A (0.57) KMT2AMEN1SMYD3ABCB1MAPK1
SCHEMBL4097172 0.90 KMT2A (0.52) KMT2AMEN1SMYD3ABCB1MAPK1
SCHEMBL13984100 0.90 KMT2A (0.51) KMT2AMEN1SMYD3ABCB1ALDH1A1
SCHEMBL13984103 0.89 KMT2A (0.54) KMT2AMEN1SMYD3ABCB1CYP1A2
SCHEMBL4090724 0.88 KMT2A (0.55) KMT2AMEN1ABCB1ALDH1A1MAPK1
SCHEMBL4099459 0.87 KMT2A (0.51) KMT2AMEN1SMYD3ABCB1ALDH1A1
SCHEMBL4095953 0.86 MEN1 (0.67) KMT2AMEN1ABCB1ALDH1A1CYP1A2
SCHEMBL13984419 0.86 KMT2A (0.48) KMT2AMEN1SMYD3ABCB1ALDH1A1

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 4 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

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 KMT2A 1424/4885MEN1 718/4885SMYD3 573/4885

“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.