SCHEMBL7225154

SCHEMBL7225154

Oc1cc2ncnc(O)c2cc1OCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50
EPHA2 P29317 4/20 0.47
KDR P35968 4/20 0.47
IRAK4 Q9NWZ3 3/20 0.45
EPHB4 P54760 2/20 0.40
SCN9A Q15858 1/20 0.40
EGFR P00533 2/20 0.39
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ERBB2 P04626 2/20 0.37

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
SCHEMBL7225147 1.00 RET (0.50) RETKIF5BEPHA2KDRIRAK4
SCHEMBL6992053 0.84 RET (0.50) RETKIF5BEPHA2KDRIRAK4
SCHEMBL7225093 0.84 RET (0.50) RETKIF5BEPHA2KDRIRAK4
SCHEMBL5227237 0.81 KDR (0.42) RETKIF5BEPHA2KDRIRAK4
SCHEMBL5230566 0.80 PDE4A (0.41) RETKIF5BEPHA2KDRIRAK4
SCHEMBL7226666 0.76 KDR (0.68) RETKIF5BEPHA2KDREPHB4
SCHEMBL7226668 0.76 KDR (0.68) RETKIF5BEPHA2KDREPHB4
SCHEMBL16760347 0.73 EPHA2 (0.67) RETKIF5BEPHA2KDREPHB4
SCHEMBL4689911 0.73 EPHA2 (0.61) RETKIF5BEPHA2KDREPHB4
SCHEMBL5232550 0.72 KDR (0.41) RETKIF5BEPHA2KDREPHB4

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-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
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 RET 68/4885KIF5B 3266/4885EPHA2 1142/4885

“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.