SCHEMBL13604904

SCHEMBL13604904

CC(C)(C)c1cc2cc[nH]c2nc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 8/20 0.39
▸ AXL P30530 2/20 0.39
▸ FEN1 P39748 1/20 0.38
▸ KDR P35968 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ ULK1 O75385 3/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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 0.83 FEN1 (0.39) CDK8AXLFEN1KDRFGFR1
SCHEMBL25613025 0.80 FEN1 (0.37) CDK8AXLFEN1KDRFGFR1
SCHEMBL25613171 0.80 RIPK1 (0.39) CDK8AXLFEN1KDRFGFR1
SCHEMBL25613108 0.80 ULK1 (0.39) CDK8AXLFEN1KDRFGFR1
SCHEMBL25613026 0.80 FEN1 (0.42) CDK8AXLFEN1KDRFGFR1
SCHEMBL25625104 0.79 ULK1 (0.45) CDK8AXLFEN1KDRFGFR1
SCHEMBL16982068 0.77 FEN1 (0.36) CDK8AXLFEN1KDRFGFR1
SCHEMBL19367958 0.77 FEN1 (0.36) CDK8AXLFEN1KDRFGFR1
SCHEMBL19367715 0.77 CDK8 (0.34) CDK8AXLFEN1KDRFGFR1
SCHEMBL25613169 0.77 BRD4 (0.40) CDK8AXLFEN1KDRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 — — US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — 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-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 — — 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
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 — — US disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 — — US disclosed
US-7638530-B2 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents MERCK & CO., INC. (US) 2009-12-29 — — US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 — — 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 (5 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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI CDK8 4699/4885AXL 4864/4885FEN1 2065/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP CDK8 4819/4885AXL 4873/4885FEN1 2577/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 CDK8 2811/4885AXL 1396/4885FEN1 3033/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CDK8 4699/4885AXL 4864/4885FEN1 2065/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ CDK8 2748/4885AXL 1050/4885FEN1 3265/4885

“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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