SCHEMBL2400097

SCHEMBL2400097

CCOc1cccc(-c2ccc3ncc4[nH]nc(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 3/20 0.46
▸ FGFR3 P22607 3/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ TTK P33981 4/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ MTOR P42345 7/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ATR Q13535 2/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38

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
SCHEMBL1558598 0.91 PDPK1 (0.44) MAP4K4PDPK1HDAC6MTORPIK3CA
SCHEMBL2398932 0.89 PDPK1 (0.44) TTKPDPK1HDAC6MTORPIK3CA
SCHEMBL1557492 0.87 PDPK1 (0.43) PDPK1HDAC6MTORPIK3CAPIK3CD
SCHEMBL1558563 0.86 PDPK1 (0.48) PDPK1HDAC6MTORPIK3CAPIK3CD
SCHEMBL1558799 0.86 MTOR (0.46) TTKPDPK1HDAC6MTORPIK3CA
SCHEMBL1559198 0.86 PDPK1 (0.46) MAP4K4PDPK1HDAC6MTORPIK3CA
SCHEMBL1559874 0.85 PDPK1 (0.45) MAP4K4PDPK1HDAC6MTORPIK3CA
SCHEMBL1557435 0.85 PDPK1 (0.45) MAP4K4PDPK1HDAC6MTORPIK3CA
SCHEMBL1559130 0.85 PDPK1 (0.45) MAP4K4PDPK1HDAC6MTORPIK3CA
SCHEMBL2393929 0.84 CLK2 (0.42) MAP4K4PDPK1HDAC6MTORPIK3CA

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 claimed

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 FGFR2 866/4885FGFR3 602/4885MAP4K4 173/4885

“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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