SCHEMBL15220091

SCHEMBL15220091

Cc1ccnc2cc(C(=O)N3CC[C@@H](N(C)C)C3)sc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
MET P08581 2/20 0.54
MKNK1 Q9BUB5 5/20 0.42
BTK Q06187 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
PROKR1 Q8TCW9 3/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
FLT1 P17948 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
HTR7 P34969 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
SCHEMBL307479 0.88 MET (0.53) KDRMETHRH3PROKR1L3MBTL3
SCHEMBL14839965 0.88 MET (0.53) KDRMETHRH3PROKR1L3MBTL3
SCHEMBL307478 0.88 MET (0.53) KDRMETHRH3PROKR1L3MBTL3
SCHEMBL15218382 0.87 KDR (0.53) KDRMETMKNK1HRH3PROKR1
SCHEMBL10272791 0.81 GRIN3B (0.46) KDRMETGRIN2DGRIN3BGRIN1
SCHEMBL14953390 0.80 KDR (0.59) KDRMETBTKPROKR1FLT1
SCHEMBL14953388 0.80 KDR (0.59) KDRMETBTKPROKR1FLT1
SCHEMBL5242952 0.80 MET (0.49) KDRMETPROKR1MALT1
SCHEMBL5242942 0.80 MET (0.49) KDRMETPROKR1MALT1
SCHEMBL307027 0.78 KDR (0.71) KDRMETFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-08-29 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-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE FGFR3, FGFR1, FGFR4 KDR 48/4885MET 35/4885MKNK1 1357/4885

“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.