SCHEMBL588674

SCHEMBL588674

Cc1cc(Nc2nc(Cl)nc(Cl)c2Cl)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.62
PLK4 O00444 3/20 0.62
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AURKA O14965 13/20 0.43
AURKB Q96GD4 7/20 0.43
GSK3B P49841 8/20 0.43
FGFR1 P11362 3/20 0.43
GSK3A P49840 2/20 0.43
JAK2 O60674 2/20 0.43
RET P07949 2/20 0.43
IGF1R P08069 2/20 0.43
KDR P35968 2/20 0.43
FLT3 P36888 2/20 0.43
JAK3 P52333 2/20 0.43
PTK2 Q05397 2/20 0.43
TNK2 Q07912 2/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL22600946 0.85 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219046 0.85 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219241 0.82 PLK4 (0.43) PAK4PLK4MEN1HTTKMT2A
SCHEMBL173559 0.81 PAK4 (0.55) PAK4PLK4MEN1HTTKMT2A
SCHEMBL220647 0.78 PAK4 (0.57) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4072828 0.77 PLK4 (0.40) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4065934 0.77 PLK4 (0.40) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218203 0.77 PAK4 (0.51) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218642 0.77 MEN1 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218565 0.77 PAK4 (0.60) PAK4PLK4MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 PAK4 142/4885PLK4 292/4885MEN1 2604/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 PAK4 142/4885PLK4 292/4885MEN1 2604/4885

“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.