SCHEMBL1098709

SCHEMBL1098709

COc1cc2ncnc(Oc3ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.58
CSF1R P07333 1/20 0.56
PDGFRA P16234 2/20 0.55
BRAF P15056 3/20 0.49
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
KIT P10721 2/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
RAF1 P04049 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
SRC P12931 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49

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
SCHEMBL1099339 1.00 KDR (0.58) KDRCSF1RPDGFRABRAFRET
SCHEMBL7104227 0.86 KDR (0.56) KDRCSF1RPDGFRABRAFRET
SCHEMBL1100627 0.83 KDR (0.51) KDRCSF1RPDGFRABRAFKIT
SCHEMBL1098153 0.83 KDR (0.51) KDRCSF1RPDGFRABRAFKIT
SCHEMBL1098715 0.78 KDR (0.52) KDRCSF1RPDGFRABRAFRET
SCHEMBL1099345 0.78 KDR (0.52) KDRCSF1RPDGFRABRAFRET
SCHEMBL844432 0.75 ATM (0.56)
SCHEMBL3217896 0.75 ATM (0.56)
SCHEMBL844431 0.75 ATM (0.56)
SCHEMBL3812435 0.74 KDM4E (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KDR 27/4885CSF1R 362/4885PDGFRA 368/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 KDR 34/4885CSF1R 357/4885PDGFRA 553/4885

“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.