SCHEMBL2884435

SCHEMBL2884435

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
MTOR P42345 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 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
SCHEMBL2887701 0.91 HRH4 (0.44) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL367835 0.78 KMT2A (0.46) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL2884300 0.78 HRH3 (0.45) PDK1
SCHEMBL2088176 0.74 KMT2A (0.56) KMT2AOPRM1OPRD1ALDH1A1GAA
SCHEMBL5421730 0.74 POLB (0.50) KMT2AEGLN1BCHEACHEHDAC6
SCHEMBL2419828 0.73 ALDH1A1 (0.44) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL3853097 0.70 HCAR3 (0.43) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL2421365 0.69 KMT2A (0.51) KMT2AOPRM1OPRD1ALDH1A1TDP1
SCHEMBL30444680 0.69 HCAR2 (0.50) KMT2AALDH1A1HRH4MEN1PDK1
SCHEMBL4061969 0.69 NAPRT (0.50) KMT2AALDH1A1L3MBTL1EGLN1GAA

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 KMT2A 2220/4885OPRM1 1653/4885OPRD1 949/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK KMT2A 1791/4885OPRM1 1701/4885OPRD1 970/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK KMT2A 2171/4885OPRM1 1660/4885OPRD1 980/4885

“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.