SCHEMBL10191569

SCHEMBL10191569

Cc1ccccc1-c1oncc1NC(=O)c1cnn2ccc(Cl)nc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.57
CYP1A2 P05177 1/20 0.56
TYK2 P29597 4/20 0.52
JAK1 P23458 3/20 0.52
JAK3 P52333 3/20 0.52
EPHB3 P54753 5/20 0.48
CSF1R P07333 1/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RIPK2 O43353 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL407094 0.89 JAK2 (0.69) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL403229 0.86 JAK2 (0.54) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL402297 0.84 JAK2 (0.58) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL405612 0.80 JAK2 (0.79) JAK2TYK2JAK1JAK3EPHB3
SCHEMBL18049730 0.77 IRAK4 (0.59) JAK2CYP1A2EPHB3IRAK4RIPK2
SCHEMBL401483 0.75 JAK2 (0.63) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL405744 0.72 JAK2 (0.71) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL402529 0.72 JAK2 (1.00) JAK2CYP1A2TYK2JAK1JAK3
SCHEMBL405277 0.72 JAK2 (0.82) JAK2TYK2JAK1JAK3IRAK4
SCHEMBL404932 0.72 JAK2 (0.83) JAK2TYK2JAK1JAK3

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP1A2 575/4885TYK2 18/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP1A2 575/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP1A2 575/4885TYK2 18/4885

“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.