SCHEMBL6789229

SCHEMBL6789229

COc1nc(Nc2ccc(F)c(Cl)c2)c2cc(N)c(C3CC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.46
▸ FBP1 P09467 2/20 0.46
▸ ERBB2 P04626 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ TEK Q02763 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ GRM1 Q13255 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ SOS1 Q07889 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL7848638 0.96 EGFR (0.45) EGFRFBP1ERBB2KDRAURKA
SCHEMBL7848647 0.96 EGFR (0.45) EGFRFBP1ERBB2KDRAURKA
SCHEMBL27595565 0.88 RAF1 (0.46) EGFRFBP1ERBB2KDRAURKA
SCHEMBL5690020 0.77 EGFR (0.65) EGFRERBB2KDRPDGFRBFLT4
SCHEMBL7850414 0.76 EGFR (0.49) EGFRERBB2PDGFRBERBB4
SCHEMBL29737288 0.76 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL17940125 0.76 EGFR (0.50) EGFRFBP1ERBB2KDRAURKA
SCHEMBL17940086 0.74 EGFR (0.51) EGFRFBP1ERBB2KDRAURKA
SCHEMBL16986930 0.74 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL3544316 0.73 EGFR (0.55) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633305-A Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA (DE) 2005-06-29 — — CN disclosed
US-6740651-B2 TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 — — US disclosed
US-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 — — US disclosed
CN-1341104-A 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA (DE) 2002-03-20 — — CN disclosed
EP-1157011-A1 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES Boehringer Ingelheim Pharma KG (DE) 2001-11-28 — — EP disclosed
WO-2000051991-A1 4-AMINO-QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANsSDUCTION MEDIATED BY TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 — — 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-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K20, MAP3K19 EGFR 158/4885FBP1 2465/4885ERBB2 24/4885

“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.

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