SCHEMBL4959842

SCHEMBL4959842

CO/N=C/c1c(N)ncnc1N1CCC(NC(=O)Nc2ccc(OC3CCCC3)nc2)C1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.73
▸ PDGFRB P09619 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ KDR P35968 3/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ PAK1 Q13153 2/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL4959852 1.00 FLT3 (0.73) FLT3PDGFRBKITKDRAKT1
SCHEMBL4960975 0.98 FLT3 (0.73) FLT3PDGFRBKITKDRAKT1
SCHEMBL5921852 0.95 FLT3 (0.78) FLT3PDGFRBKITKDRPAK1
SCHEMBL5921851 0.95 FLT3 (0.78) FLT3PDGFRBKITKDRPAK1
SCHEMBL4960587 0.94 FLT3 (0.78) FLT3PDGFRBKITKDRPAK1
SCHEMBL4963331 0.91 FLT3 (0.60) FLT3PDGFRBKITAKT1PAK1
SCHEMBL4963329 0.91 FLT3 (0.60) FLT3PDGFRBKITAKT1PAK1
SCHEMBL13956330 0.85 FLT3 (1.00) FLT3PDGFRBKIT
SCHEMBL27713847 0.85 FLT3 (1.00) FLT3PDGFRBKIT
SCHEMBL4959947 0.85 FLT3 (0.72) FLT3PDGFRBKITKDRAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898918-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 — — EP disclosed
EP-1896029-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-12 — — EP disclosed
WO-2006135644-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
WO-2006135718-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — US disclosed
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — 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 (2 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-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TYMP FLT3 1/4885PDGFRB 29/4885KIT 2/4885
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, TYMP, PHKG1 FLT3 1/4885PDGFRB 143/4885KIT 127/4885

“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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