SCHEMBL2889463

SCHEMBL2889463

COCCOc1cnc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
S1PR4 O95977 1/20 0.38
PLAU P00749 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3614998 0.86 CHRNB2 (0.39) CHRNB2CHRNA4POLB
SCHEMBL15918589 0.83 CHRNB2 (0.43) CHRNB2CHRNA4POLB
SCHEMBL363244 0.82 SYK (0.39) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL22638172 0.82 PLAU (0.36) CHRNB2CHRNA4S1PR4PLAUPOLB
SCHEMBL27291555 0.81 NPC1 (0.47) CHRNB2CHRNA4POLBL3MBTL1
SCHEMBL6499085 0.80 THRB (0.43) CHRNB2CHRNA4
SCHEMBL15918740 0.79 ALDH1A1 (0.50) CHRNB2CHRNA4POLB
SCHEMBL22638150 0.78 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL2695938 0.78 ALDH1A1 (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL5942319 0.78 CHRNB2 (0.41) CHRNB2CHRNA4PIK3CAMTOR

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 CHRNB2 3474/4885CHRNA4 3076/4885PIK3CD 1164/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK CHRNB2 3528/4885CHRNA4 2975/4885PIK3CD 980/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK CHRNB2 3469/4885CHRNA4 3054/4885PIK3CD 1102/4885

“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.