SCHEMBL2887906

SCHEMBL2887906

Oc1ccc2ncnc(Nc3ccccn3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.59
RAF1 P04049 5/20 0.54
BRAF P15056 5/20 0.54
EGFR P00533 5/20 0.54
ERBB2 P04626 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
HTT P42858 2/20 0.51
ALK Q9UM73 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.50
GCK P35557 2/20 0.48
BTK Q06187 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2642947 0.82 ALK (0.50) CD38RAF1BRAFEGFRERBB2
SCHEMBL6831353 0.82 EGFR (0.62) CD38EGFRERBB2ABCG2HTT
SCHEMBL13599953 0.81 RAF1 (0.79) RAF1BRAFEGFRERBB2ABCG2
SCHEMBL2890024 0.78 HTT (0.50) CD38RAF1BRAFEGFRERBB2
SCHEMBL2642152 0.75 GCK (0.50) RAF1BRAFEGFRERBB2ABCG2
SCHEMBL2642264 0.74 GCK (0.60) RAF1BRAFEGFRERBB2ALK
SCHEMBL2884488 0.73 ALK (0.47) RAF1BRAFEGFRERBB2ABCG2
SCHEMBL2642335 0.73 GCK (0.71) CD38EGFRGCK
SCHEMBL2642221 0.73 NPC1 (0.46) RAF1BRAFEGFRERBB2ABCG2
SCHEMBL8307102 0.72 EGFR (0.76) RAF1BRAFEGFRERBB2ABCG2

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 CD38 2399/4885RAF1 199/4885BRAF 1540/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK CD38 2540/4885RAF1 207/4885BRAF 1546/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK CD38 2370/4885RAF1 182/4885BRAF 1424/4885

“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.