SCHEMBL2237572

SCHEMBL2237572

CCOC(OCC)C(Br)c1ccnc(SC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 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
SCHEMBL12272001 0.83 MAPK9 (0.40) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL13323082 0.77 KMT2A (0.39) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL2237600 0.72
SCHEMBL10094582 0.70 MAPK9 (0.43) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL1914533 0.69 L3MBTL1 (0.54) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL4660326 0.69 MAPK9 (0.39) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL28304876 0.69 MAPK9 (0.36) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL28239177 0.69 GAA (0.43) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL31422607 0.69 KMT2A (0.40) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL6792166 0.68 L3MBTL1 (0.52) MAPK9MAPK10L3MBTL1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 US disclosed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 US disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
US-7709475-B2 5-[2-(cyclohexyloxy)-6-methyl-4-pyrimidinyl]-2-[5-(4-methyl-1-piperazinyl)methyl-2-pyrazinyl]amino-1,3-thiazole; anticarcinogenic agent; G1 phase in cell cycle; great selectivity BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-04 US disclosed
US-7709475-B2 5-[2-(cyclohexyloxy)-6-methyl-4-pyrimidinyl]-2-[5-(4-methyl-1-piperazinyl)methyl-2-pyrazinyl]amino-1,3-thiazole; anticarcinogenic agent; G1 phase in cell cycle; great selectivity BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-04 US disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
EP-1754706-A1 SELECTIVE INHIBITORS AGAINST Cdk4 AND Cdk6 HAVING AMINOTHIAZOLE SKELETON BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-21 EP disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
CN-1390215-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-01-08 CN disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO 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 (4 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAPK9 138/4885MAPK10 118/4885L3MBTL1 2910/4885
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton CDK4, CDK6, CDK3 MAPK9 256/4885MAPK10 212/4885L3MBTL1 1301/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAPK9 138/4885MAPK10 118/4885L3MBTL1 2910/4885
US-20120238564-A1 IMIDAZO PYRAZINES THPO, MCL1, IKZF3 MAPK9 3583/4885MAPK10 3289/4885L3MBTL1 4559/4885

“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.