SCHEMBL5913862

SCHEMBL5913862

C[C@@H](Cc1cccc(CN)c1)Nc1nccc(N(C)c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.39
▸ MAPK14 Q16539 12/20 0.39
▸ SYK P43405 2/20 0.37
▸ KDR P35968 3/20 0.36
▸ MAPK13 O15264 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL5914143 0.92 SMN1; SMN2 (0.39) CFDMAPK14SYKKDRTP53
SCHEMBL5914056 0.92 CFD (0.36) CFDMAPK14SYKTP53CYP1A2
SCHEMBL5914384 0.89 CFD (0.41) CFDMAPK14SYKKDRMAPK13
SCHEMBL5914198 0.88 MAPK14 (0.40) MAPK14KDRMAPK13MAPK12MAPK11
SCHEMBL5914222 0.88 DYRK1B (0.38) CFDMAPK14SYKKDRMAPK13
SCHEMBL5914118 0.86 MAPK14 (0.42) MAPK14SYKKDRCYP1A2CYP3A4
SCHEMBL5914160 0.86 AURKA (0.36) CFDMAPK14
SCHEMBL5914205 0.86 CFD (0.39) CFDMAPK14SYKKDRMAPK13
SCHEMBL5914240 0.86 CLK4 (0.46) MAPK14TP53CYP1A2CYP3A4KDM4E
SCHEMBL5914244 0.86 CLK4 (0.46) MAPK14TP53CYP1A2CYP3A4KDM4E

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 1 patent. 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 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 4289/4885MAPK14 2620/4885SYK 1478/4885

“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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