SCHEMBL2396990

SCHEMBL2396990

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(CN6CCOCC6)c5)cc4c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ DYRK1A Q13627 14/20 0.43
▸ CLK2 P49760 8/20 0.43
▸ CLK3 P49761 8/20 0.43
▸ SRC P12931 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ RET P07949 1/20 0.40
▸ WNT1 P04628 3/20 0.40

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
SCHEMBL1558639 0.88 SRC (0.41) SRCCHEK1ACHEJAK2
SCHEMBL2400727 0.87 LRRK2 (0.48) DYRK1ACLK2CLK3CHEK1WNT1
SCHEMBL1558939 0.84 ALDH1A1 (0.42) KCNH2CHEK1JAK2
SCHEMBL1558859 0.84 DGAT1 (0.45) KCNH2
SCHEMBL1558837 0.81 LRRK2 (0.43) CHEK1
SCHEMBL1557449 0.81 LRRK2 (0.42) CHEK1ACHE
SCHEMBL2394460 0.81 LRRK2 (0.52) —
SCHEMBL12266421 0.81 MTOR (0.42) CHEK1
SCHEMBL2398394 0.81 DYRK1A (0.47) DYRK1ACLK2CLK3CHEK1WNT1
SCHEMBL2396054 0.80 MAP4K4 (0.46) CHEK1

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 GSK3B 47/4885KCNH2 2054/4885DYRK1A 360/4885

“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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