SCHEMBL16982068

SCHEMBL16982068

CC(C)c1nc2[nH]ccc2cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 1/20 0.36
▸ CDK8 P49336 2/20 0.34
▸ ULK1 O75385 3/20 0.33
▸ AXL P30530 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CFTR P13569 1/20 0.30

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
SCHEMBL25613029 0.79 FEN1 (0.39) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL13604904 0.77 CDK8 (0.39) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL19441648 0.77 FEN1 (0.36) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL25613036 0.76 FEN1 (0.36) FEN1CDK8ULK1AXLBRD4
SCHEMBL25613025 0.76 FEN1 (0.37) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL25613171 0.76 RIPK1 (0.39) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL17998758 0.76 GPR84 (0.41) FEN1CDK8AXLPIK3CDPIK3CA
SCHEMBL25613026 0.76 FEN1 (0.42) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL25613108 0.76 ULK1 (0.39) FEN1CDK8ULK1AXLPIK3CD
SCHEMBL22792806 0.75 APP (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 — — US disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 — — US disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 — — 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP FEN1 2577/4885CDK8 4819/4885ULK1 1889/4885

“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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