SCHEMBL219709

SCHEMBL219709

Cc1cc(Nc2cc(N(C)S(=O)(=O)N(C)C)nc(Cl)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.43
PLK4 O00444 1/20 0.43
PIK3C3 Q8NEB9 4/20 0.41
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 3/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ITK Q08881 1/20 0.35
AURKA O14965 9/20 0.35
AURKB Q96GD4 4/20 0.34
JAK3 P52333 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL218842 0.79 PAK4 (0.49) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4116079 0.77 PAK4 (0.48) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL343410 0.74 PAK4 (0.54) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL220647 0.74 PAK4 (0.57) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL217798 0.71 KMT2A (0.39) MEN1KMT2A
SCHEMBL218203 0.71 PAK4 (0.51) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3993234 0.70 PAK4 (0.49) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL22079284 0.70 PAK4 (0.49) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL4788903 0.70 PAK4 (0.49) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL12102888 0.70 GSK3B (0.50) PAK4PLK4PIK3C3MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945631-B1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885PIK3C3 186/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 197/4885PLK4 290/4885PIK3C3 167/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885PIK3C3 186/4885

“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.