SCHEMBL4245503

SCHEMBL4245503

COCCOc1cc2ncnc(Oc3ccc[c]c3F)c2cc1OCCOC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.65
TRPA1 O75762 1/20 0.49
RAF1 P04049 6/20 0.48
BRAF P15056 6/20 0.48
EGFR P00533 4/20 0.47
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
CSF1R P07333 2/20 0.45
PDGFRB P09619 2/20 0.45
FLT3 P36888 2/20 0.45
FLT4 P35916 1/20 0.45
ERBB2 P04626 1/20 0.44

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
SCHEMBL5179191 0.87 TRPA1 (0.54) KDM1ATRPA1RAF1BRAFEGFR
SCHEMBL19916574 0.79 KDM1A (0.78) KDM1ARAF1BRAFEGFRKDR
SCHEMBL5177474 0.79 TRPA1 (0.43) KDM1ATRPA1RAF1BRAFEGFR
SCHEMBL14814872 0.78 L3MBTL1 (0.39) KDM1AEGFR
SCHEMBL14771329 0.77 KDM1A (0.58) KDM1ATRPA1RAF1BRAFEGFR
SCHEMBL5177012 0.77 KDM1A (0.64) KDM1ARAF1BRAFEGFRKDR
SCHEMBL1983663 0.77 KDM1A (0.64) KDM1AEGFRKDR
SCHEMBL17278108 0.76 KDM1A (0.73) KDM1ARAF1BRAFEGFRKDR
SCHEMBL23158502 0.75 KDM1A (0.56) KDM1ATRPA1RAF1BRAFEGFR
SCHEMBL14771291 0.74 TRPA1 (0.64) KDM1ATRPA1RAF1BRAFEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KDM1A 2179/4885TRPA1 3713/4885RAF1 208/4885

“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.