SCHEMBL2884281

SCHEMBL2884281

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NPSR1 Q6W5P4 4/20 0.59
VCAM1 P19320 2/20 0.46
MAPT P10636 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2889813 0.91 ALDH1A1 (0.62) ALDH1A1NPSR1VCAM1MAPTPTGDR2
SCHEMBL3709323 0.78 ALDH1A1 (0.68) ALDH1A1NPSR1VCAM1MAPTPTGDR2
SCHEMBL6621517 0.77 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTPTGDR2LMNA
SCHEMBL6384244 0.72 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL7677072 0.70 ALDH1A1 (0.65) ALDH1A1NPSR1MAPTPTGDR2LMNA
SCHEMBL30088403 0.69 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL3716202 0.69 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTLMNAPOLB
SCHEMBL16590188 0.69 ALDH1A1 (0.55) ALDH1A1NPSR1VCAM1MAPTLMNA
SCHEMBL2884435 0.69 KMT2A (0.42) ALDH1A1NPSR1HDAC6MEN1KMT2A
SCHEMBL10581963 0.69 VCAM1 (0.92) ALDH1A1VCAM1SMN1; SMN2

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 2944/4885VCAM1 3681/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1265/4885NPSR1 3000/4885VCAM1 3691/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1412/4885NPSR1 2919/4885VCAM1 3707/4885

“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.