SCHEMBL404687

SCHEMBL404687

O=C(Nc1ccccc1)c1cnn2ccc(Nc3ccccn3)nc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NLRP3 Q96P20 1/20 0.50
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
IRAK4 Q9NWZ3 10/20 0.48
JAK2 O60674 2/20 0.47
NTRK1 P04629 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL15428600 0.88 MEN1 (0.45) SMN1; SMN2PIM1PIM3PIM2IRAK4
SCHEMBL402227 0.88 JAK2 (0.53) HTTSMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL402454 0.86 JAK2 (0.54) HTTSMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL402065 0.84 MAPK13 (0.52) HTTSMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL405830 0.83 JAK2 (0.54) HTTSMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL10191600 0.81 TGFBR1 (0.51) SMN1; SMN2NPC1RAB9APIM1PIM3
SCHEMBL403971 0.81 JAK2 (0.66) SMN1; SMN2NPC1RAB9APIM1PIM3
SCHEMBL404686 0.80 TYK2 (0.55) IRAK4JAK2NTRK1JAK1TYK2
SCHEMBL400997 0.80 IRAK4 (0.47) HTTSMN1; SMN2NPC1RAB9AIRAK4
SCHEMBL405062 0.80 IRAK4 (0.58) PIM1IRAK4JAK2JAK1TYK2

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 4391/4885SMN1; SMN2 2551/4885NPC1 2785/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885SMN1; SMN2 2551/4885NPC1 2785/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885SMN1; SMN2 2551/4885NPC1 2785/4885

“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.