SCHEMBL145566

SCHEMBL145566

Nc1ccccc1-c1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.70
▸ CDK5 Q00535 6/20 0.70
▸ CDK5R1 Q15078 6/20 0.70
▸ CLK1 P49759 4/20 0.70
▸ DYRK1A Q13627 3/20 0.70
▸ MAP3K14 Q99558 3/20 0.70
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ EIF2AK2 P19525 1/20 0.52
▸ FLT3 P36888 1/20 0.51

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
SCHEMBL20030496 0.88 DYRK1A (0.72) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL573402 0.82 GSK3B (1.00) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL29488162 0.82 GSK3B (1.00) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL28230580 0.81 CLK1 (0.67) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL15876511 0.80 ALDH1A1 (0.46) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL5314928 0.78 DYRK1A (0.58) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL21850038 0.77 ALDH1A1 (0.52) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL30736362 0.77 ALDH1A1 (0.52) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL29534011 0.77 DYRK1A (0.68) GSK3BCDK5CDK5R1CLK1DYRK1A
SCHEMBL3818537 0.77 DYRK1A (0.68) GSK3BCDK5CDK5R1CLK1DYRK1A

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-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 — — US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 — — 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 GSK3B 341/4885CDK5 1744/4885CDK5R1 1738/4885

“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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