SCHEMBL6301927

SCHEMBL6301927

Cc1cc2[nH]c3ncccc3c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
MAPT P10636 6/20 0.49
AURKA O14965 1/20 0.47
PARP1 P09874 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
UHRF1 Q96T88 1/20 0.42
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERBB2 P04626 1/20 0.41
PDK2 Q15119 1/20 0.41
ADORA2A P29274 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
SCHEMBL2628369 0.81 KIF11 (0.58) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL2628367 0.81 ACHE (0.56) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL12395872 0.79 CHEK1 (0.63) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL30322758 0.76 AURKA (0.65) CHEK1MAPTAURKAPARP1KMT2A
SCHEMBL12396544 0.76 AURKA (0.65) CHEK1MAPTAURKAPARP1KMT2A
SCHEMBL29559082 0.75 PARP1 (0.60) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL29410201 0.75 PARP1 (0.60) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL9145 0.75 PARP1 (0.60) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL4958620 0.75 CHEK1 (0.50) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL22433744 0.74 ERBB2 (0.50) CHEK1MAPTAURKAPARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858622-B2 Cycloalkano-indole and -azaindole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US disclosed
CN-1183111-C Cycloalkano-indote and againdole derivatives, process for their preparation and pharmaceutical composition containing the same 2005-01-05 CN disclosed
EP-0705831-B1 Cycloalkano-indole- and -azaindole derivatives BAYER AG (DE) 2003-12-03 EP disclosed
US-20030149073-A1 Cycloalkano-indole and -azaindole derivatives MULLER ULRICH (DE) 2003-08-07 US disclosed
US-6479503-B2 SUCH AS 2-(S/R)-2-(4-(2,4-DIMETHYL-5,6,7,8-TETRAHYDRO-ALPHA-CARBOLIN-9-YL)METHYL -PHENYL)-2-CYCLOPENTYL-ACETIC ACID N-((R)PHENYLGLYCINOAMIDE) FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives MUELLER ULRICH (DE) 2002-10-10 US disclosed
US-20020055635-A1 Cycloalkano-indole and -azaindole derivatives MULLER ULRICH (DE) 2002-05-09 US disclosed
US-6265431-B1 ANTICHOLESTEROL DRUGS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
US-6245775-B1 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
CN-1224715-A Cycloalkano-indote and againdole derivatives, process for their preparation and pharmaceutical composition containing the same BAYER AG (DE) 1999-08-04 CN disclosed
US-5684014-A FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
CN-1130631-A Cycloalkano-indole and-azaindole derivatives BAYER AG (DE) 1996-09-11 CN disclosed
EP-0705831-A2 Cycloalkano-indole- and -azaindole derivatives BAYER AG (DE) 1996-04-10 EP 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 (3 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-20030149073-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT CHEK1 2203/4885MAPT 3135/4885AURKA 372/4885
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT CHEK1 2203/4885MAPT 3135/4885AURKA 372/4885
US-20020055635-A1 Cycloalkano-indole and -azaindole derivatives ADRB3, AADAT, INMT CHEK1 2935/4885MAPT 3405/4885AURKA 821/4885

“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.