SCHEMBL2883968

SCHEMBL2883968

CC(C)NCCOc1ccc(Oc2ccc3ncnc(Nc4ccccn4)c3c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.54
CD38 P28907 1/20 0.43
EGFR P00533 5/20 0.40
FBP1 P09467 1/20 0.38
ERBB2 P04626 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38

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
Hydrochloric Acid SCHEMBL2889848 0.99 GCK (0.53) GCKCD38EGFRFBP1ERBB2
SCHEMBL16131093 0.88 GCK (0.55) GCKCD38EGFRFBP1
SCHEMBL11948382 0.88 GCK (0.43) GCKEGFRFBP1
Hydrochloric Acid SCHEMBL2884071 0.87 GCK (0.42) GCKEGFRFBP1
SCHEMBL2892000 0.86 GCK (0.49) GCKEGFRFBP1
SCHEMBL11948383 0.84 GCK (0.48) GCKEGFR
SCHEMBL2888232 0.84 GCK (0.64) GCKEGFR
Hydrochloric Acid SCHEMBL2889791 0.83 GCK (0.47) GCKEGFR
SCHEMBL11948388 0.83 GCK (0.45) GCKEGFRFBP1
Hydrochloric Acid SCHEMBL2889587 0.82 GCK (0.44) GCKEGFRFBP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221301-B1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD KK (JP) 2014-06-04 EP claimed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US claimed
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-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 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
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US 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 (2 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 2/4885CD38 2399/4885EGFR 4431/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885CD38 2540/4885EGFR 4441/4885

“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.