SCHEMBL2884488

SCHEMBL2884488

Cn1ncc(Nc2ncnc3ccc(O)cc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.47
RAF1 P04049 8/20 0.45
BRAF P15056 8/20 0.45
EGFR P00533 3/20 0.45
ERBB2 P04626 1/20 0.45
RET P07949 4/20 0.44
KDR P35968 4/20 0.44
KIF5B P33176 3/20 0.44
GCK P35557 2/20 0.42
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
FLT3 P36888 1/20 0.41
JAK3 P52333 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
SLK Q9H2G2 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2890049 0.84 RAF1 (0.46) ALKRAF1BRAFEGFRERBB2
SCHEMBL2889760 0.84 ALK (0.44) ALKRAF1BRAFEGFRERBB2
SCHEMBL2889556 0.81 ALK (0.43) ALKRAF1BRAFEGFRERBB2
SCHEMBL2642264 0.81 GCK (0.60) ALKRAF1BRAFEGFRERBB2
SCHEMBL2890024 0.76 HTT (0.50) ALKRAF1BRAFEGFRERBB2
SCHEMBL2642152 0.76 GCK (0.50) ALKRAF1BRAFEGFRERBB2
SCHEMBL2642947 0.75 ALK (0.50) ALKRAF1BRAFEGFRERBB2
SCHEMBL2887906 0.73 CD38 (0.59) ALKRAF1BRAFEGFRERBB2
SCHEMBL13599953 0.71 RAF1 (0.79) ALKRAF1BRAFEGFRERBB2
SCHEMBL14035072 0.68 KDR (0.67) ALKRAF1BRAFRETKDR

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 ALK 3719/4885RAF1 199/4885BRAF 1540/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALK 3750/4885RAF1 207/4885BRAF 1546/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALK 3614/4885RAF1 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.