SCHEMBL6506351

SCHEMBL6506351

O=[N+]([O-])c1cc2c(Nc3cccc(Cl)c3)ncnc2cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.67
FADS1 O60427 1/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
KMT2A Q03164 2/20 0.56
ERBB2 P04626 2/20 0.56
NPC1 O15118 1/20 0.56
PRNP P04156 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 2/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL29615011 0.88 EGFR (0.63) EGFRERBB2FBP1
SCHEMBL25241 0.88 EGFR (0.63) EGFRERBB2FBP1
SCHEMBL30237488 0.88 EGFR (0.63) EGFRERBB2FBP1
SCHEMBL26321 0.87 EGFR (0.64) EGFRKDM4EERBB2HTTMAPK1
Hydrochloric Acid SCHEMBL4780920 0.87 EGFR (0.62) EGFRERBB2FBP1
SCHEMBL4968393 0.87 EGFR (0.67) EGFRERBB2FBP1
SCHEMBL2988532 0.87 EGFR (0.59) EGFRERBB2HTTMAPK1FBP1
SCHEMBL1418279 0.87 EGFR (0.77) EGFRFBP1
SCHEMBL28413582 0.85 EGFR (0.59) EGFRERBB2FBP1
SCHEMBL4740556 0.84 EGFR (0.72) EGFRFADS1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972288-B1 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-12-06 US disclosed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 EGFR 2229/4885FADS1 3227/4885KDM4E 194/4885

“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.