SCHEMBL4094740

SCHEMBL4094740

N#Cc1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.47
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
PIN1 Q13526 2/20 0.43
ALK Q9UM73 2/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
AURKA O14965 1/20 0.43
EPHB4 P54760 1/20 0.42
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPK3 P27361 3/20 0.41
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNK O75909 2/20 0.40
CCND3 P30281 2/20 0.40
CDK9 P50750 2/20 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
SCHEMBL2062564 0.81 IGF1R (0.54) ALKIGF1RAURKACCNA2CDK2
SCHEMBL29558030 0.78 AURKA (0.41) JAK3FLT1FLT4KDRAURKA
SCHEMBL28717548 0.78 AURKA (0.41) JAK3FLT1FLT4KDRAURKA
SCHEMBL28969585 0.77 CDK2 (0.43) MAPK9MAPK10PIN1ALKIGF1R
SCHEMBL30394905 0.77 AURKA (0.46) MAPK9MAPK10ALKAURKACCNA2
SCHEMBL24752703 0.77 ALK (0.44) MAPK9MAPK10PIN1ALKINSR
SCHEMBL30833698 0.77 ULK1 (0.43) MAPK9MAPK10PIN1ALKIGF1R
SCHEMBL29019902 0.77 AURKA (0.46) MAPK9MAPK10ALKAURKACCNA2
SCHEMBL30184233 0.77 ALK (0.44) MAPK9MAPK10PIN1ALKINSR
SCHEMBL30833632 0.77 BCL6 (0.50) MAPK9MAPK10ALKCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US disclosed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 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-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY JAK3 214/4885MAPK9 476/4885MAPK10 1424/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS JAK3 1059/4885MAPK9 1894/4885MAPK10 3128/4885

“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.