SCHEMBL5914240

SCHEMBL5914240

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 13/20 0.46
▸ CYP1A2 P05177 10/20 0.46
▸ CYP3A4 P08684 10/20 0.46
▸ CYP2C19 P33261 8/20 0.46
▸ CYP2D6 P10635 7/20 0.46
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 10/20 0.45
▸ USP2 O75604 5/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ HSD17B10 Q99714 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ MAPK1 P28482 6/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL5914244 1.00 CLK4 (0.46) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5913917 0.92 CLK4 (0.43) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5913924 0.92 CLK4 (0.43) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5316304 0.88 CLK4 (0.37) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5914418 0.87 MAPK14 (0.40) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5914416 0.87 MAPK14 (0.40) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5913862 0.86 CFD (0.39) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL5318168 0.86 CLK4 (0.37) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5318166 0.86 CLK4 (0.37) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5914185 0.85 CLK4 (0.39) CLK4CYP1A2CYP3A4CYP2C19CYP2D6

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 CLK4 2319/4885CYP1A2 1159/4885CYP3A4 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.

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