SCHEMBL875969

SCHEMBL875969

O=[N+]([O-])c1ccc(SC2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
FUCA1 P04066 2/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL31219901 0.92 FUCA1 (0.48) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL2338541 0.92 MAPT (0.50) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL10513227 0.91 MAOA (0.50) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL26012277 0.91 MAOA (0.50) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL14790647 0.88 ADRB1 (0.46) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL2627278 0.88 NR3C1 (0.43) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL13245957 0.87 NAMPT (0.48) MAPTMEN1KMT2ANR3C1PGR
Hydrochloric Acid SCHEMBL14782734 0.86 ADRB1 (0.45) MAPTMEN1KMT2ANR3C1PGR
SCHEMBL2984932 0.82 MAPT (0.59) MAPTMEN1KMT2AFUCA1ALDH1A1
SCHEMBL13245958 0.82 MAPT (0.59) MAPTMEN1KMT2AFUCA1ALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159456-A1 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
CN-115433127-A Quinolinamines compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-12-06 CN disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
EP-2350026-B1 SULFOXIMINE SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2014-06-18 EP disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-08-11 US disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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 (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-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, CDK1, FLT1 MAPT 3750/4885MEN1 3930/4885KMT2A 1485/4885
US-20230159456-A1 N-SUBSTITUTED INDOLES TPH2, TPH1, AANAT MAPT 96/4885MEN1 1630/4885KMT2A 1834/4885
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS CDK2, CDK1, FLT1 MAPT 3750/4885MEN1 3930/4885KMT2A 1485/4885

“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.