SCHEMBL2890253

SCHEMBL2890253

Cn1ccc(Nc2ncnc3ccc(Oc4ncc(OCCCCC(=O)O)cc4Cl)cc23)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.62
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
EGFR P00533 2/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL2891687 0.90 GCK (0.67) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2889794 0.89 GCK (0.68) GCKEGFRERBB2
SCHEMBL11948369 0.87 GCK (0.66) GCKEGFRERBB2
SCHEMBL2888040 0.87 GCK (0.66) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2884054 0.87 GCK (0.68) GCK
Hydrochloric Acid SCHEMBL2889772 0.86 GCK (0.65) GCKEGFRERBB2
SCHEMBL11948367 0.86 GCK (0.64) GCKEGFRERBB2
SCHEMBL2884497 0.85 GCK (0.66) GCKEGFR
Hydrochloric Acid SCHEMBL2884195 0.85 GCK (0.63) GCKEGFRERBB2
SCHEMBL11948368 0.85 GCK (0.63) GCKEGFRERBB2

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 GCK 2/4885HDAC3 195/4885HDAC4 1208/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885HDAC3 193/4885HDAC4 1229/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885HDAC3 188/4885HDAC4 1211/4885

“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.