SCHEMBL406557

SCHEMBL406557

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3ccccc3Oc3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.49
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IRAK1 P51617 1/20 0.42
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
EPHB3 P54753 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 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
SCHEMBL405797 0.90 IRAK4 (0.59) IRAK4IRAK1MAPTFLT3
SCHEMBL406432 0.88 IRAK4 (0.49) IRAK4IRAK1MAPTLMNAHTT
SCHEMBL403236 0.85 HTT (0.53) IRAK4ALDH1A1MAPK1RAB9AMAPT
SCHEMBL401831 0.83 SMN1; SMN2 (0.51) IRAK4TSHRALDH1A1RAB9AMAPT
SCHEMBL404422 0.82 HTT (0.60) TSHRALDH1A1MAPK1RAB9AMAPT
SCHEMBL404511 0.81 HTT (0.47) IRAK4IRAK1RAB9ATDP1MAPT
SCHEMBL406809 0.81 HTT (0.48) IRAK4ALDH1A1MAPK1IRAK1RAB9A
SCHEMBL404915 0.81 HTT (0.48) IRAK4TSHRALDH1A1RAB9ATDP1
SCHEMBL402142 0.81 NTRK1 (0.43) IRAK4IRAK1HTT
SCHEMBL401813 0.80 HTT (0.49) IRAK4ALDH1A1RAB9AMAPTEPHB3

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 IRAK4 9/4885TSHR 900/4885ALDH1A1 1236/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885TSHR 900/4885ALDH1A1 1236/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885TSHR 900/4885ALDH1A1 1236/4885

“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.