SCHEMBL2399375

SCHEMBL2399375

CC(=O)Nc1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(NC(C)=O)c5)cc4c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ MAPK10 P53779 1/20 0.48
▸ DYRK1A Q13627 12/20 0.44
▸ CLK2 P49760 10/20 0.44
▸ CLK3 P49761 10/20 0.44
▸ DYRK1B Q9Y463 2/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ WNT1 P04628 2/20 0.42
▸ PIP4K2A P48426 1/20 0.42
▸ PIP4K2B P78356 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ NEK2 P51955 1/20 0.41
▸ MAPK15 Q8TD08 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
SCHEMBL2397747 0.94 CLK2 (0.51) TTKMAPK8MAPK10DYRK1ACLK2
SCHEMBL2396969 0.91 CHEK1 (0.42) TTKMAPK8MAPK10DYRK1ACLK2
SCHEMBL1558650 0.88 MTOR (0.49) TTKMAPK8DYRK1ACLK2CLK3
SCHEMBL2396580 0.87 MAPK10 (0.44) MAPK10DYRK1ACLK2CLK3DYRK1B
SCHEMBL1557469 0.80 CLK2 (0.51) DYRK1ACLK2CLK3WNT1
SCHEMBL1557578 0.80 RAF1 (0.51) MAPK10DYRK1ACLK2CLK3DYRK1B
SCHEMBL2396769 0.78 MTOR (0.42) DYRK1ACLK2CLK3WNT1
SCHEMBL2396806 0.78 CLK2 (0.50) DYRK1ACLK2CLK3WNT1
SCHEMBL1557941 0.78 MTOR (0.53) TTKMAPK8DYRK1ADYRK1BRAF1
SCHEMBL1559106 0.78 MTOR (0.50) TTKMAPK8DYRK1ADYRK1BCHEK1

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 TTK 294/4885MAPK8 169/4885MAPK10 194/4885

“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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