SCHEMBL15869796

SCHEMBL15869796

Cc1cc(N)c(F)cc1Oc1ccnc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ MET P08581 8/20 0.46
▸ FEN1 P39748 3/20 0.44
▸ ALOX5AP P20292 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ GCK P35557 1/20 0.34

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
SCHEMBL14742548 0.86 MET (0.49) NOS3NOS1NOS2METFEN1
SCHEMBL2413935 0.86 SCN9A (0.36) NOS3NOS1NOS2METFEN1
SCHEMBL107547 0.83 MET (0.46) NOS3NOS1NOS2METFEN1
SCHEMBL105733 0.81 MET (0.44) METAXLSCN9AGCK
SCHEMBL4325879 0.77 NOS3 (0.51) NOS3NOS1NOS2METFEN1
SCHEMBL24167925 0.77 MAP4K4 (0.42) KMT2ATGFBR1
SCHEMBL1137172 0.76 NOS3 (0.50) NOS3NOS1NOS2METFEN1
SCHEMBL107558 0.74 MET (0.48) METMAPK14
SCHEMBL1136810 0.74 MET (0.55) NOS3NOS1NOS2METFEN1
SCHEMBL1137088 0.74 NOS3 (0.47) NOS3NOS1NOS2METFEN1

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-20140194405-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-07-10 — — 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-20140194405-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NOS3 2843/4885NOS1 3439/4885NOS2 3498/4885

“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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