SCHEMBL2887869

SCHEMBL2887869

Cc1cnc(Nc2ncnc3ccc(Oc4ccc(OCCN(C)C)cn4)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.51
CCNE1 P24864 6/20 0.44
CDK2 P24941 6/20 0.44
HSF1 Q00613 6/20 0.42
HRH3 Q9Y5N1 1/20 0.40
RET P07949 1/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND3 P30281 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK3 Q00526 1/20 0.40
CDK6 Q00534 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
EGFR P00533 1/20 0.39
MAPT P10636 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
SCHEMBL11948373 0.87 GCK (0.49) GCKCCNE1CDK2HSF1HRH3
SCHEMBL2887597 0.87 GCK (0.54) GCKCCNE1CDK2HSF1HRH3
Hydrochloric Acid SCHEMBL2889922 0.86 GCK (0.49) GCKCCNE1CDK2HSF1HRH3
SCHEMBL2889971 0.86 GCK (0.50) GCKEGFRMAPTGRM1
SCHEMBL2889582 0.86 GCK (0.48) GCKCCNE1CDK2HSF1HRH3
SCHEMBL2892000 0.85 GCK (0.49) GCKEGFRMAPTGRM1
SCHEMBL2889505 0.85 GCK (0.49) GCKCCNE1CDK2HSF1HRH3
SCHEMBL2884476 0.85 GCK (0.49) GCKCCNE1CDK2HSF1HRH3
SCHEMBL2892353 0.84 GCK (0.54) GCKEGFRMAPTGRM1
SCHEMBL16131091 0.84 GCK (0.66) GCKCCNE1CDK2HSF1CCNT1

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 19 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-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 US claimed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US claimed
EP-2221301-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-25 EP claimed
US-8846700-B2 Heteroaryl quinazoline derivatives MSD K.K. (JP) 2014-09-30 US disclosed
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-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-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-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
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
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 2/4885CCNE1 2574/4885CDK2 756/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885CCNE1 2592/4885CDK2 690/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK GCK 1/4885CCNE1 2535/4885CDK2 717/4885

“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.