SCHEMBL5914154

SCHEMBL5914154

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.36
▸ KDR P35968 8/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL5914158 1.00 MAPK14 (0.36) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914280 1.00 MAPK14 (0.36) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914049 0.91 CFD (0.38) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914043 0.91 CFD (0.38) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914286 0.89 KDR (0.36) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914283 0.89 KDR (0.36) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914419 0.88 MAPK14 (0.37) MAPK14KDR
SCHEMBL5317904 0.87 KDR (0.38) MAPK14KDR
SCHEMBL5317902 0.86 KDR (0.38) MAPK14KDRABL1
SCHEMBL5913882 0.85 MAPK14 (0.37) MAPK14KDRMAPK13MAPK12MAPK11

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 MAPK14 2620/4885KDR 210/4885CYP3A4 1290/4885

“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.

Send feedback