SCHEMBL5555113

SCHEMBL5555113

Nc1n[nH]c2cncc(-c3cccc(-c4ccccc4)c3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.55
▸ BTK Q06187 3/20 0.52
▸ KDR P35968 9/20 0.50
▸ LCK P06239 5/20 0.50
▸ CSF1R P07333 5/20 0.50
▸ KIT P10721 4/20 0.50
▸ FLT3 P36888 4/20 0.50
▸ LYN P07948 4/20 0.50
▸ SRC P12931 4/20 0.50
▸ FLT1 P17948 4/20 0.50
▸ BLK P51451 4/20 0.50
▸ FLT4 P35916 3/20 0.50
▸ ABL1 P00519 2/20 0.50
▸ FYN P06241 2/20 0.50
▸ PDPK1 O15530 3/20 0.46
▸ GSK3A P49840 3/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ FGFR1 P11362 3/20 0.43
▸ PRKACA P17612 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43

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
SCHEMBL8401672 0.82 BTK (0.57) JAK2BTKKDRLCKCSF1R
SCHEMBL6116012 0.81 BTK (0.57) BTKKDRLCKCSF1RKIT
SCHEMBL8401763 0.78 BTK (0.56) JAK2BTKKDRLCKCSF1R
SCHEMBL6115425 0.78 BTK (0.67) BTKKDRLCKCSF1RKIT
SCHEMBL1703256 0.77 BTK (0.67) JAK2BTKKDRLCKCSF1R
SCHEMBL8401736 0.76 BTK (0.48) JAK2BTKKDRLCKCSF1R
SCHEMBL6115984 0.76 BTK (0.51) BTKKDRLCKCSF1RKIT
SCHEMBL6116428 0.76 BTK (0.54) BTKKDRLCKCSF1RKIT
SCHEMBL29968161 0.74 KDR (0.79) JAK2KDRLCKCSF1RKIT
SCHEMBL6116270 0.74 BTK (0.55) JAK2BTKKDRLCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 — — EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 — — US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 — — 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 JAK2 77/4885BTK 83/4885KDR 402/4885

“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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