SCHEMBL405076

SCHEMBL405076

CCc1ccc(NC(=O)c2cnn3ccc(N(C)c4cccnc4)nc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KLF5 Q13887 1/20 0.53
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK13 O15264 1/20 0.46
LIMK1 P53667 1/20 0.46
MARK2 Q7KZI7 1/20 0.46
GBA1 P04062 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 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
SCHEMBL401813 0.90 HTT (0.49) NPC1SMN1; SMN2RAB9ANPSR1MEN1
SCHEMBL403236 0.90 HTT (0.53) NPC1SMN1; SMN2RAB9ANPSR1MEN1
SCHEMBL405379 0.89 HTT (0.48) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL404915 0.89 HTT (0.48) NPC1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL404422 0.89 HTT (0.60) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL400081 0.88 STING1 (0.48) NPC1SMN1; SMN2RAB9ANPSR1MEN1
SCHEMBL403827 0.87 HTT (0.47) NPC1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL404511 0.87 HTT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL406159 0.84 NPC1 (0.57) NPC1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL402074 0.84 NAMPT (0.46) HTTIRAK4NTRK1

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 NPC1 2785/4885SMN1; SMN2 2551/4885RAB9A 869/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885SMN1; SMN2 2551/4885RAB9A 869/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885SMN1; SMN2 2551/4885RAB9A 869/4885

“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.