SCHEMBL3272226

SCHEMBL3272226

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
RAB9A P51151 1/20 0.43
MAPT P10636 9/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.40
SCD O00767 1/20 0.40
MMP13 P45452 1/20 0.40
CFTR P13569 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3274675 0.88 KMT2A (0.46) DYRK1ARAB9AMAPTKMT2AMEN1
SCHEMBL2144189 0.85 ALDH1A1 (0.50) DYRK1ARAB9AMAPTKMT2AMEN1
SCHEMBL1117899 0.80 PIK3CG (0.41) RAB9AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL2143788 0.80 LMNA (0.40) DYRK1ARAB9AMAPTSMN1; SMN2LMNA
SCHEMBL3273615 0.80 LMNA (0.39) RAB9AMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2143829 0.79 MAPT (0.42) DYRK1ARAB9AMAPTSMN1; SMN2LMNA
SCHEMBL798617 0.78 PIK3CG (0.49) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2143844 0.76 RAB9A (0.51) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14231194 0.76 RAB9A (0.39) DYRK1ACSNK2A1RAB9AMAPTKMT2A
SCHEMBL4512392 0.76 MAPT (0.40) RAB9AMAPTKMT2AMEN1SMN1; SMN2

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-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
CN-101035795-B Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
CN-101035795-A Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT (DE) 2007-09-12 CN disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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 (2 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 DYRK1A 1429/4885CSNK2A2 1082/4885CSNK2B 1391/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R DYRK1A 704/4885CSNK2A2 766/4885CSNK2B 914/4885

“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.