SCHEMBL2889813

SCHEMBL2889813

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
NPSR1 Q6W5P4 4/20 0.62
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
VCAM1 P19320 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2884281 0.91 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL3709323 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL6621517 0.79 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL11741366 0.76 VCAM1 (0.41) ALDH1A1NPSR1VCAM1MEN1KMT2A
SCHEMBL6384244 0.74 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL11735391 0.73 VCAM1 (0.48) ALDH1A1VCAM1MEN1KMT2APTGDR2
SCHEMBL7677072 0.72 ALDH1A1 (0.65) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL30088403 0.71 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL3716202 0.71 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL16590188 0.71 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTLMNAPOLB

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 ALDH1A1 1439/4885NPSR1 2944/4885MAPT 4661/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1265/4885NPSR1 3000/4885MAPT 4720/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1412/4885NPSR1 2919/4885MAPT 4654/4885

“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.