SCHEMBL403713

SCHEMBL403713

COc1ccc(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.51
NTRK1 P04629 3/20 0.51
IRAK4 Q9NWZ3 8/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FLT3 P36888 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL400574 0.93 NTRK1 (0.50) FYNNTRK1IRAK4ALDH1A1FLT3
SCHEMBL406564 0.88 NTRK1 (0.55) FYNNTRK1IRAK4SMN1; SMN2NPC1
SCHEMBL405036 0.88 HIF1A (0.51) FYNNTRK1IRAK4FLT3NPC1
SCHEMBL403247 0.86 HIF1A (0.54) NTRK1IRAK4LMNASMN1; SMN2FLT3
SCHEMBL406018 0.86 PIM1 (0.54) NTRK1IRAK4SMN1; SMN2NPC1RAB9A
SCHEMBL403483 0.85 RET (0.50) NTRK1IRAK4ALDH1A1SMN1; SMN2NPC1
SCHEMBL403245 0.85 NTRK1 (0.54) NTRK1IRAK4SMN1; SMN2NPC1RAB9A
SCHEMBL402166 0.85 NTRK1 (0.51) NTRK1IRAK4ALDH1A1SMN1; SMN2NPC1
SCHEMBL405544 0.84 NTRK1 (0.54) FYNNTRK1IRAK4SMN1; SMN2NPC1
SCHEMBL406311 0.84 HIF1A (0.53) FYNNTRK1IRAK4LMNAFLT3

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 6 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
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP 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 FYN 245/4885NTRK1 2693/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FYN 245/4885NTRK1 2693/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FYN 245/4885NTRK1 2693/4885IRAK4 9/4885

“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.