SCHEMBL6992053

SCHEMBL6992053

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50
KDR P35968 8/20 0.49
EPHA2 P29317 7/20 0.49
IRAK4 Q9NWZ3 3/20 0.47
SCN9A Q15858 1/20 0.43
TSHR P16473 1/20 0.42
SHMT2 P34897 1/20 0.41
PLK1 P53350 1/20 0.41
ERBB2 P04626 2/20 0.39
EPHB4 P54760 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7225093 1.00 RET (0.50) RETKIF5BKDREPHA2IRAK4
SCHEMBL6992109 0.88 EPHA2 (0.53) RETKIF5BKDREPHA2IRAK4
SCHEMBL7218888 0.88 EPHA2 (0.53) RETKIF5BKDREPHA2IRAK4
SCHEMBL5227290 0.84 KDR (0.44) RETKIF5BKDREPHA2IRAK4
SCHEMBL7225154 0.84 RET (0.50) RETKIF5BKDREPHA2IRAK4
SCHEMBL5230842 0.84 KDR (0.43) RETKIF5BKDREPHA2IRAK4
SCHEMBL7225147 0.84 RET (0.50) RETKIF5BKDREPHA2IRAK4
SCHEMBL24714036 0.78 ENPP1 (0.48) TSHRERBB2
SCHEMBL5231086 0.78 EPHA2 (0.43) KDREPHA2ERBB2EPHB4
Hydrochloric Acid SCHEMBL7219208 0.77 KDR (0.69) RETKIF5BKDREPHA2ERBB2

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 RET 68/4885KIF5B 3266/4885KDR 500/4885

“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.