SCHEMBL6774504

SCHEMBL6774504

CCOC(=O)c1cc2c(nc(COC)n2C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
TSHR P16473 2/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
LIMK1 P53667 1/20 0.42
TNK2 Q07912 1/20 0.42
ROCK1 Q13464 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP10 Q14694 1/20 0.35

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
SCHEMBL27286488 0.86 HSD17B10 (0.43) HSD17B10TSHRDAPK3CSNK1A1LIMK1
SCHEMBL29924734 0.78 HSD17B10 (0.41) HSD17B10TSHRMAPTALDH1A1PKM
SCHEMBL29924912 0.77 HSD17B10 (0.44) HSD17B10TSHRDAPK3CSNK1A1LIMK1
SCHEMBL22677882 0.69 CYP3A4 (0.36) TSHRMAPTALDH1A1PKMGAA
SCHEMBL24401142 0.69 ALDH1A1 (0.36) HSD17B10TSHRMAPTALDH1A1PKM
SCHEMBL25978729 0.69 TSHR (0.41) HSD17B10TSHRMAPTALDH1A1PKM
SCHEMBL29924211 0.68 MAPT (0.36) HSD17B10TSHRMAPTALDH1A1PKM
SCHEMBL24434035 0.68 PIK3CA (0.42) HSD17B10TSHRMAPTALDH1A1GAA
SCHEMBL30209316 0.68 FEN1 (0.39) HSD17B10TSHRMAPTALDH1A1PKM
SCHEMBL24401144 0.68 MAPT (0.36) HSD17B10TSHRMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
CN-1088702-C Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2002-08-07 CN disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed
CN-1248251-A Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2000-03-22 CN 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-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB HSD17B10 518/4885TSHR 731/4885DAPK3 4142/4885

“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.