SCHEMBL14723530

SCHEMBL14723530

Nc1nc(NCc2ccc3[nH]ncc3c2)ncc1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.43
▸ CLK2 P49760 3/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ DYRK1B Q9Y463 3/20 0.43
▸ CLK3 P49761 2/20 0.43
▸ IGF1R P08069 12/20 0.41
▸ NTRK1 P04629 4/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ KDR P35968 1/20 0.36

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
SCHEMBL15208658 0.92 CLK1 (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15208562 0.84 CCNT1 (0.41) IGF1RNTRK1
SCHEMBL15210049 0.82 NTRK1 (0.38) IGF1RNTRK1
SCHEMBL15059707 0.82 IGF1R (0.38) IGF1RNTRK1
SCHEMBL2319961 0.81 IGF1R (0.59) IGF1RNTRK1
SCHEMBL15208435 0.81 PDE5A (0.41) IGF1RNTRK1
SCHEMBL15059562 0.80 ROCK2 (0.41) IGF1RNTRK1
SCHEMBL15058709 0.80 IGF1R (0.54) IGF1RNTRK1CDK2
SCHEMBL15209627 0.79 PAK3 (0.43) IGF1RNTRK1
SCHEMBL15059672 0.78 PAK1 (0.61) IGF1RNTRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 — — EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 — — US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 — — WO 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 CLK1 794/4885CLK2 691/4885DYRK1A 483/4885

“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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