SCHEMBL5481380

SCHEMBL5481380

CO/N=C\c1c(N)ncnc1OCc1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.55
EGFR P00533 4/20 0.51
KDR P35968 8/20 0.50
ERBB2 P04626 3/20 0.48
MAOB P27338 2/20 0.45
MPO P05164 1/20 0.45
PIN1 Q13526 1/20 0.45
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 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
SCHEMBL5481386 1.00 RET (0.55) RETEGFRKDRERBB2MAOB
SCHEMBL12303612 0.87 EGFR (0.53) RETEGFRKDRERBB2CSF1R
SCHEMBL2453432 0.87 EGFR (0.53) RETEGFRKDRERBB2CSF1R
SCHEMBL2453435 0.87 EGFR (0.53) RETEGFRKDRERBB2CSF1R
SCHEMBL5487853 0.86 EGFR (0.62) RETEGFRKDRERBB2
SCHEMBL2451414 0.86 EGFR (0.58) RETEGFRKDRERBB2MAOB
SCHEMBL2451417 0.86 EGFR (0.58) RETEGFRKDRERBB2MAOB
SCHEMBL12303599 0.86 EGFR (0.58) RETEGFRKDRERBB2MAOB
SCHEMBL12303606 0.86 EGFR (0.62) RETEGFRKDRERBB2
SCHEMBL5487850 0.86 EGFR (0.62) RETEGFRKDRERBB2

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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US claimed

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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK RET 577/4885EGFR 1449/4885KDR 1975/4885

“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.