SCHEMBL405188

SCHEMBL405188

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3-n3cccn3)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
IRAK4 Q9NWZ3 8/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RET P07949 2/20 0.41
NTRK1 P04629 2/20 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
SCHEMBL407024 0.84 PIM1 (0.47) PIM1PIM3PIM2IRAK4HTT
SCHEMBL404636 0.84 PIM1 (0.44) PIM1PIM3PIM2IRAK4HTT
SCHEMBL402197 0.84 NTRK1 (0.47) PIM1PIM3PIM2IRAK4HTT
SCHEMBL403981 0.84 KDM4E (0.53) PIM1PIM3PIM2IRAK4NPC1
SCHEMBL405187 0.83 NTRK1 (0.53) IRAK4KDM4EHSD17B10NTRK1
SCHEMBL405119 0.83 IRAK4 (0.46) PIM1PIM3PIM2IRAK4ALDH1A1
SCHEMBL403794 0.83 FLT3 (0.51) IRAK4ALDH1A1MAPTKDM4ENTRK1
SCHEMBL406018 0.82 PIM1 (0.54) PIM1PIM3PIM2IRAK4HTT
SCHEMBL401713 0.81 NTRK1 (0.47) PIM1PIM3PIM2IRAK4NPC1
SCHEMBL405801 0.81 IRAK4 (0.50) PIM1PIM3PIM2IRAK4NPC1

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.