SCHEMBL2816729

SCHEMBL2816729

N#Cc1cnc(Cl)nc1NC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
AXL P30530 1/20 0.51
CHUK O15111 1/20 0.46
CSNK1A1 P48729 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CTSK P43235 3/20 0.43
PRKCQ Q04759 1/20 0.43
CTSL P07711 2/20 0.41
CTSS P25774 1/20 0.41
CTSB P07858 1/20 0.41
LRRK2 Q5S007 2/20 0.41
SRC P12931 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL21596374 0.95 KMT2A (0.56) KMT2AAXLCHUKCSNK1A1CLK4
SCHEMBL30042311 0.95 KMT2A (0.56) KMT2AAXLCHUKCSNK1A1CLK4
SCHEMBL3150451 0.92 KMT2A (0.51) KMT2AAXLCHUKCSNK1A1CLK4
SCHEMBL13735749 0.84 KMT2A (0.45) KMT2AAXLCSNK1A1CLK4PRKCQ
SCHEMBL16120965 0.83 KMT2A (0.44) KMT2AAXLCHUKCSNK1A1CLK4
SCHEMBL14657893 0.82 KMT2A (0.43) KMT2AAXLCSNK1A1CLK4PRKCQ
SCHEMBL14657894 0.82 KMT2A (0.43) KMT2AAXLCSNK1A1CLK4PRKCQ
SCHEMBL30662127 0.82 CSNK1A1 (0.45) KMT2AAXLCSNK1A1CLK4ALDH1A1
SCHEMBL21409882 0.82 CSNK1A1 (0.45) KMT2AAXLCSNK1A1CLK4ALDH1A1
SCHEMBL20677003 0.81 KMT2A (0.57) KMT2AAXL

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
CN-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 CN disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed
EP-1794134-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES AS CELL CYCLE KINASE INHIBITORS OR RECEPTOR TYROSINE KINASE INHIBITORS, PRODUCTION OF SAID SUBSTANCES AND USE OF THE LATTER AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 EP disclosed
US-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
WO-2006034872-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES AS CELL CYCLE KINASE INHIBITORS OR RECEPTOR TYROSINE KINASE INHIBITORS, PRODUCTION OF SAID SUBSTANCES AND USE OF THE LATTER AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (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-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents CDK2, KDR, CDK4 KMT2A 1366/4885AXL 143/4885CHUK 163/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR KMT2A 4091/4885AXL 326/4885CHUK 721/4885

“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.