SCHEMBL5914043

SCHEMBL5914043

C[C@@H](Cc1cccc(CN)c1)Nc1nccc(N(C)c2cc(-c3ccccc3)c(=O)n(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.38
▸ KDR P35968 13/20 0.36
▸ MAPK14 Q16539 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL5914049 1.00 CFD (0.38) CFDKDRMAPK14CYP3A4CYP2D6
SCHEMBL5914283 0.94 KDR (0.36) CFDKDRMAPK14CYP3A4CYP2D6
SCHEMBL5914286 0.94 KDR (0.36) CFDKDRMAPK14CYP3A4CYP2D6
SCHEMBL5914420 0.91 KDR (0.36) CFDKDRMAPK14CYP3A4CYP2D6
SCHEMBL5914154 0.91 MAPK14 (0.36) KDRMAPK14CYP3A4CYP2D6CYP2C9
SCHEMBL5914280 0.91 MAPK14 (0.36) KDRMAPK14CYP3A4CYP2D6CYP2C9
SCHEMBL5914158 0.91 MAPK14 (0.36) KDRMAPK14CYP3A4CYP2D6CYP2C9
SCHEMBL5317902 0.89 KDR (0.38) KDRMAPK14ABL1
SCHEMBL5317904 0.88 KDR (0.38) KDRMAPK14FGFR1EPHB4
SCHEMBL5263151 0.87 KDR (0.38) CFDKDRMAPK14FGFR1EPHB4

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP CFD 4289/4885KDR 210/4885MAPK14 2620/4885

“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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