SCHEMBL5554489

SCHEMBL5554489

OC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.60
TEK Q02763 1/20 0.60
EGFR P00533 13/20 0.59
ERBB2 P04626 9/20 0.59
RIPK2 O43353 1/20 0.55
EPHB2 P29323 1/20 0.55
ERBB4 Q15303 4/20 0.52
JAK3 P52333 2/20 0.52
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
MAPT P10636 1/20 0.48
GRM1 Q13255 1/20 0.48
CLK4 Q9HAZ1 2/20 0.47
CHEK2 O96017 1/20 0.47
ROS1 P08922 1/20 0.47
FLT3 P36888 1/20 0.47
AURKB Q96GD4 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAPK1 P28482 2/20 0.47
FYN P06241 1/20 0.47

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
SCHEMBL5554493 1.00 KDR (0.60) KDRTEKEGFRERBB2RIPK2
SCHEMBL5552571 0.89 EGFR (0.70) EGFRERBB2ERBB4TTBK1TTBK2
SCHEMBL5552576 0.89 EGFR (0.70) EGFRERBB2ERBB4TTBK1TTBK2
SCHEMBL5548965 0.86 EGFR (0.52) EGFRERBB2ERBB4CLK4CHEK2
SCHEMBL5548967 0.86 EGFR (0.52) EGFRERBB2ERBB4CLK4CHEK2
SCHEMBL7242229 0.85 EGFR (0.65) KDRTEKEGFRERBB2RIPK2
SCHEMBL27481777 0.82 EGFR (0.63) KDRTEKEGFRERBB2RIPK2
SCHEMBL5554548 0.81 EGFR (0.43) KDREGFRFLT3MEN1BRAF
SCHEMBL5554550 0.81 EGFR (0.43) KDREGFRFLT3MEN1BRAF
SCHEMBL30819688 0.78 EGFR (0.59) EGFRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 KDR 2037/4885TEK 2324/4885EGFR 265/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 KDR 2037/4885TEK 2324/4885EGFR 265/4885

“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.