SCHEMBL13314374

SCHEMBL13314374

NCC1CC(n2cc(C#CCO)c3c(N)ncnc32)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.51
▸ RET P07949 4/20 0.51
▸ LCK P06239 4/20 0.51
▸ KDR P35968 4/20 0.51
▸ IGF1R P08069 4/20 0.51
▸ ALK Q9UM73 3/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ FLT1 P17948 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ MST1R Q04912 2/20 0.51
▸ NTRK3 Q16288 2/20 0.51
▸ NTRK2 Q16620 2/20 0.51
▸ PRKACA P17612 2/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ MAP2K2 P36507 1/20 0.51

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
SCHEMBL13721084 0.77 MTOR (0.55) ABL1RETLCKKDRIGF1R
SCHEMBL1933032 0.77 MTOR (0.55) ABL1RETLCKKDRIGF1R
SCHEMBL13314379 0.76 SRC (0.47) ABL1RETLCKKDRIGF1R
SCHEMBL13314375 0.75 SRC (0.46) ABL1RETLCKKDRIGF1R
SCHEMBL13314318 0.74 ABL1 (0.61) ABL1RETLCKKDRIGF1R
SCHEMBL13314317 0.74 EGFR (0.74) ABL1RETLCKKDRIGF1R
SCHEMBL24965973 0.74 AHCY (0.42) ABL1RETLCKKDRIGF1R
SCHEMBL13314363 0.74 SRC (0.60) ABL1RETLCKKDRIGF1R
SCHEMBL13314368 0.73 SRC (0.56) ABL1RETLCKKDRIGF1R
SCHEMBL397336 0.71 SRC (0.59) ABL1RETLCKKDRIGF1R

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-20100160356-A1 NOVEL CYCLOBUTYL COMPOUNDS AS KINASE INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-06-24 — — US disclosed
US-20100160356-A1 NOVEL CYCLOBUTYL COMPOUNDS AS KINASE INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-06-24 — — 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-20100160356-A1 NOVEL CYCLOBUTYL COMPOUNDS AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 ABL1 180/4885RET 353/4885LCK 134/4885

“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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