SCHEMBL1662796

SCHEMBL1662796

CNC(=O)c1cc(N)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
RET P07949 1/20 0.56
PDGFRB P09619 1/20 0.56
PIM1 P11309 1/20 0.56
PDGFRA P16234 1/20 0.56
GSK3B P49841 1/20 0.56
RPS6KA3 P51812 1/20 0.56
LIMK1 P53667 1/20 0.56
CDK5 Q00535 1/20 0.56
TYRO3 Q06418 1/20 0.56
MAPK14 Q16539 1/20 0.56
LRRK2 Q5S007 1/20 0.56
AURKB Q96GD4 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
PLK1 P53350 1/20 0.47
PTPN11 Q06124 1/20 0.43
CREBBP Q92793 1/20 0.42
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL1754245 0.78 CHEK1 (0.57) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL23185764 0.78 CHEK1 (0.57) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL18683164 0.78 CHEK1 (0.53) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL17641610 0.78
SCHEMBL286531 0.77 MAPK1 (0.65) MAPTLMNAALPLMAPK1GAA
SCHEMBL14235474 0.76 ALDH1A1 (0.45) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL21608068 0.76 CHEK1 (0.54) CHEK1RETPDGFRBPIM1PDGFRA
Hydrochloric Acid SCHEMBL286530 0.76 MAPK1 (0.62) MAPTLMNAALPLMAPK1GAA
SCHEMBL1269795 0.75
SCHEMBL28856288 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 (1 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CHEK1 852/4885RET 1312/4885PDGFRB 1665/4885

“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.