SCHEMBL404511

SCHEMBL404511

COc1ccc(NC(=O)c2cnn3ccc(N(C)c4cccnc4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
BRAF P15056 1/20 0.45
PDE2A O00408 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IRAK4 Q9NWZ3 6/20 0.44
PSMD14 O00487 1/20 0.42
ATR Q13535 1/20 0.42
IRAK1 P51617 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL401831 0.90 SMN1; SMN2 (0.51) HTTKMT2ARAB9ANPC1BRAF
SCHEMBL400081 0.90 STING1 (0.48) HTTKMT2APOLBRAB9ANPC1
SCHEMBL401813 0.90 HTT (0.49) HTTKMT2ARAB9ANPC1BRAF
SCHEMBL403236 0.90 HTT (0.53) HTTKMT2ARAB9ANPC1LMNA
SCHEMBL404915 0.89 HTT (0.48) HTTRAB9ANPC1TDP1IRAK4
SCHEMBL405379 0.89 HTT (0.48) HTTKMT2ARAB9ANPC1IRAK4
SCHEMBL404422 0.89 HTT (0.60) HTTKMT2ARAB9ANPC1BRAF
SCHEMBL405076 0.87 NPC1 (0.53) HTTKMT2APOLBRAB9ANPC1
SCHEMBL403827 0.87 HTT (0.47) HTTRAB9ANPC1BRAFIRAK4
SCHEMBL405797 0.85 IRAK4 (0.59) IRAK4IRAK1MAPT

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 HTT 4391/4885KMT2A 1030/4885POLB 2697/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885KMT2A 1030/4885POLB 2697/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885KMT2A 1030/4885POLB 2697/4885

“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.