SCHEMBL402152

SCHEMBL402152

O=C(Nc1ccccc1)c1cnn2ccc(NCC3CCOCC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 8/20 0.54
PIM1 P11309 7/20 0.54
PIM3 Q86V86 5/20 0.54
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
NTRK1 P04629 2/20 0.53
FLT3 P36888 1/20 0.51
IRAK4 Q9NWZ3 7/20 0.49

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
SCHEMBL400691 0.90 IRAK4 (0.56) PIM2PIM1PIM3IRAK4
SCHEMBL406176 0.90 IRAK4 (0.56) PIM2PIM1PIM3IRAK4
SCHEMBL17387396 0.89 PIM2 (0.68) PIM2PIM1PIM3FLT3IRAK4
SCHEMBL405724 0.85 IRAK4 (0.49) PIM2PIM1PIM3JAK2JAK1
SCHEMBL402153 0.83 NTRK1 (0.62) PIM2PIM1PIM3JAK2JAK1
SCHEMBL405250 0.80 IRAK4 (0.50) PIM2PIM1PIM3JAK2JAK1
SCHEMBL21996801 0.80 PIM1 (0.56) PIM2PIM1PIM3NTRK1IRAK4
SCHEMBL406018 0.79 PIM1 (0.54) PIM2PIM1PIM3NTRK1IRAK4
SCHEMBL405871 0.79 PIM1 (0.54) PIM2PIM1PIM3NTRK1IRAK4
SCHEMBL403794 0.79 FLT3 (0.51) JAK2JAK1TYK2JAK3NTRK1

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 PIM2 114/4885PIM1 181/4885PIM3 291/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PIM2 114/4885PIM1 181/4885PIM3 291/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PIM2 114/4885PIM1 181/4885PIM3 291/4885

“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.