SCHEMBL2887701

SCHEMBL2887701

CN(C)CCN(C)C(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
KMT2A Q03164 4/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A7 Q99884 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
RXFP1 Q9HBX9 1/20 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
SCHEMBL2884435 0.91 KMT2A (0.42) HRH4KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL367835 0.80 KMT2A (0.46) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL2884300 0.80 HRH3 (0.45)
SCHEMBL4061969 0.77 NAPRT (0.50) HRH4KMT2AIKBKBALDH1A1L3MBTL1
SCHEMBL30444680 0.77 HCAR2 (0.50) HRH4KMT2AIKBKBALDH1A1SLC6A7
SCHEMBL2088176 0.77 KMT2A (0.56) HRH4KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL2419828 0.75 ALDH1A1 (0.44) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL14182582 0.74 EGLN1 (0.39) HRH4IKBKB
SCHEMBL3853097 0.72 HCAR3 (0.43) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL5423649 0.72 HDAC1 (0.47) IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846700-B2 Heteroaryl quinazoline derivatives MSD K.K. (JP) 2014-09-30 US disclosed
EP-2221301-B1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD KK (JP) 2014-06-04 EP disclosed
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES MSD K.K. (JP) 2014-01-09 US disclosed
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES IINO TOMOHARU (JP) 2012-10-25 US disclosed
US-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 US disclosed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
EP-2221301-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-25 EP 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 (3 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-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE GCKR, GCK, KHK HRH4 1688/4885KMT2A 2220/4885OPRM1 1653/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK HRH4 1638/4885KMT2A 1791/4885OPRM1 1701/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK HRH4 1677/4885KMT2A 2171/4885OPRM1 1660/4885

“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.