SCHEMBL10258658

SCHEMBL10258658

CN1CCN(C(=O)CC(=O)NC(C)(C)C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX4 Q99571 1/20 0.38
BCHE P06276 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL14045141 0.88 CNR2 (0.42) CNR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL14817554 0.84 CNR2 (0.48) CNR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL2605814 0.82 CNR2 (0.46) CNR2ALDH1A1MEN1KMT2AGAA
SCHEMBL306880 0.81 CNR2 (0.50) CNR2ALDH1A1MEN1KMT2ANPC1
SCHEMBL2605689 0.81 TSHR (0.61) ALDH1A1MEN1KMT2ANPC1CYP3A4
SCHEMBL12284892 0.80 CNR2 (0.49) CNR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL10202737 0.77 NOTUM (0.58) ALDH1A1GAACYP3A4CYP2C19LMNA
SCHEMBL171481 0.76 CNR2 (0.46) CNR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL16945783 0.74 CNR2 (0.52) CNR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL9607910 0.72 NOTUM (0.58) CNR2CYP2D6CYP2C9NOTUMBRD4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (4 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CNR2 1943/4885ALDH1A1 1649/4885MEN1 3655/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 CNR2 3593/4885ALDH1A1 3152/4885MEN1 1071/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CNR2 3721/4885ALDH1A1 3139/4885MEN1 3231/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CNR2 3685/4885ALDH1A1 3553/4885MEN1 1165/4885

“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.