SCHEMBL6992109

SCHEMBL6992109

CC(=O)Oc1cc2ncnc(Cl)c2cc1OC[C@@H]1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 10/20 0.53
KDR P35968 8/20 0.53
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.46
ENPP1 P22413 2/20 0.43
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.42
EPHB4 P54760 3/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 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
SCHEMBL7218888 1.00 EPHA2 (0.53) EPHA2KDRRETKIF5BIRAK4
SCHEMBL6992053 0.88 RET (0.50) EPHA2KDRRETKIF5BIRAK4
SCHEMBL7225093 0.88 RET (0.50) EPHA2KDRRETKIF5BIRAK4
SCHEMBL16760347 0.87 EPHA2 (0.67) EPHA2KDRRETKIF5BENPP1
SCHEMBL5226819 0.85 KDR (0.48) EPHA2KDRIRAK4ENPP1SCN9A
SCHEMBL5231792 0.85 ENPP1 (0.48) EPHA2KDRENPP1EPHB4EGFR
SCHEMBL1999978 0.80 ENPP1 (0.54) KDRENPP1TSHREGFR
Hydrochloric Acid SCHEMBL7219208 0.79 KDR (0.69) EPHA2KDRRETKIF5BEPHB4
SCHEMBL3239272 0.78 ENPP1 (0.68) ENPP1EGFRERBB2
SCHEMBL4235751 0.78 EPHB4 (0.47) EPHA2KDRRETENPP1EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EPHA2 1142/4885KDR 500/4885RET 68/4885

“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.