SCHEMBL405871

SCHEMBL405871

O=C(Nc1ccccc1)c1cnn2ccc(NCCO)nc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.54
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
IRAK4 Q9NWZ3 13/20 0.51
HTT P42858 1/20 0.46
RET P07949 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL401684 0.89 PIM1 (0.67) PIM1PIM3PIM2IRAK4HTT
SCHEMBL405250 0.87 IRAK4 (0.50) PIM1PIM3PIM2IRAK4HTT
SCHEMBL406018 0.86 PIM1 (0.54) PIM1PIM3PIM2IRAK4HTT
SCHEMBL402227 0.84 JAK2 (0.53) PIM1PIM3PIM2IRAK4HTT
SCHEMBL407024 0.83 PIM1 (0.47) PIM1PIM3PIM2IRAK4HTT
SCHEMBL403483 0.82 RET (0.50) PIM1PIM3PIM2IRAK4RET
SCHEMBL402197 0.82 NTRK1 (0.47) PIM1PIM3PIM2IRAK4HTT
SCHEMBL403217 0.82 NTRK1 (0.49) PIM1PIM3PIM2IRAK4RET
SCHEMBL16460388 0.82 SMN1; SMN2 (0.48) PIM1PIM3PIM2IRAK4HTT
SCHEMBL403981 0.82 KDM4E (0.53) PIM1PIM3PIM2IRAK4NTRK1

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

“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.