SCHEMBL3982045

SCHEMBL3982045

Clc1ncnc2[nH]c(-c3ccncc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.59
EGFR P00533 4/20 0.52
CSF1R P07333 3/20 0.46
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
GCGR P47871 2/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL1899495 0.85 EGFR (0.55) KITEGFRCSF1R
SCHEMBL31565345 0.84 KIT (0.61) KITEGFRCSF1R
SCHEMBL22195118 0.84 KIT (0.61) KITEGFRCSF1R
SCHEMBL27414010 0.83 EGFR (0.52) KITEGFRCSF1R
SCHEMBL20493380 0.83 KIT (0.70) KITEGFR
SCHEMBL6259087 0.83 EGFR (0.53) KITEGFRCSF1RGCGRMAPK14
SCHEMBL16546224 0.83 EGFR (0.51) KITEGFRCSF1RBRAFTNNI3K
SCHEMBL13737573 0.82 KIT (0.61) KITEGFRCSF1RBRAFTNNI3K
SCHEMBL3982349 0.81 KIT (0.59) KITEGFRCSF1RBRAFTNNI3K
SCHEMBL4899896 0.79 EGFR (0.57) KITEGFRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 KIT 1616/4885EGFR 1346/4885CSF1R 1962/4885

“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.