SCHEMBL15428708

SCHEMBL15428708

O=C(O)c1cnn2ccc(NCc3ccccn3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.65
PIM1 P11309 2/20 0.48
PIM3 Q86V86 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NTRK1 P04629 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
STING1 Q86WV6 2/20 0.42

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
SCHEMBL402295 0.88 RET (0.60) RETPIM1PIM3PIM2SMN1; SMN2
SCHEMBL406806 0.86 RET (0.58) RETPIM1PIM3PIM2KDM4E
SCHEMBL407006 0.86 RET (0.58) RETPIM1PIM3PIM2KDM4E
SCHEMBL402942 0.84 HTT (0.61) RETPIM1PIM3PIM2SMN1; SMN2
SCHEMBL404879 0.82 NTRK1 (0.67) RETPIM1PIM3PIM2NTRK1
SCHEMBL15428600 0.81 MEN1 (0.45) RETPIM1PIM3PIM2KDM4E
SCHEMBL406088 0.80 NTRK1 (0.55) RETPIM1PIM3PIM2KDM4E
SCHEMBL15428696 0.79 NPSR1 (0.49) RETPIM1PIM3PIM2TP53
SCHEMBL17387411 0.78 MAOA (0.48) RETKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL15428617 0.76 IRAK4 (0.49) RETPIM1PIM3PIM2HPGD

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885PIM1 181/4885PIM3 291/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885PIM1 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.