SCHEMBL21964836

SCHEMBL21964836

CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)O)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.49
▸ CDK2 P24941 6/20 0.49
▸ PIM1 P11309 4/20 0.49
▸ ROCK2 O75116 3/20 0.49
▸ PRKACA P17612 3/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ HIPK2 Q9H2X6 3/20 0.49
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ DBF4 Q9UBU7 3/20 0.44
▸ ROCK1 Q13464 3/20 0.43
▸ CCNE1 P24864 2/20 0.41
▸ DYRK1A Q13627 3/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL21948982 0.94 CDC7 (0.49) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL20688009 0.91 KDM4E (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL21948564 0.89 CDC7 (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL21961849 0.85 TYK2 (0.55) TYK2
SCHEMBL21960691 0.85 TYK2 (0.55) TYK2
SCHEMBL21948298 0.85 TYK2 (0.55) TYK2
SCHEMBL21948561 0.85 TYK2 (0.55) TYK2
SCHEMBL21947292 0.84 TYK2 (0.45) DYRK1ATYK2
SCHEMBL21948058 0.84 KDM4E (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL20689041 0.82 TYK2 (0.58) TYK2

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CDC7 621/4885CDK2 342/4885PIM1 244/4885

“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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