SCHEMBL15428600

SCHEMBL15428600

O=C(O)c1cnn2ccc(Nc3ccccn3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TYK2 P29597 2/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
TGFBR1 P36897 3/20 0.43
IRAK4 Q9NWZ3 5/20 0.43
RET P07949 1/20 0.43
JAK2 O60674 2/20 0.42
NTRK1 P04629 1/20 0.42
AURKA O14965 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
STING1 Q86WV6 1/20 0.40

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
SCHEMBL404687 0.88 HTT (0.53) TYK2PIM1PIM3PIM2IRAK4
SCHEMBL404686 0.81 TYK2 (0.55) TYK2TGFBR1IRAK4JAK2NTRK1
SCHEMBL15428708 0.81 RET (0.65) KDM4EPIM1PIM3PIM2TGFBR1
SCHEMBL400999 0.79 TAS2R14 (0.60) TYK2TGFBR1IRAK4JAK2NTRK1
SCHEMBL15428610 0.79 JAK2 (0.49) TYK2TGFBR1IRAK4JAK2AURKA
SCHEMBL15428765 0.79 FYN (0.44) KDM4ETGFBR1IRAK4AURKAMAPK10
SCHEMBL10191600 0.79 TGFBR1 (0.51) TYK2PIM1PIM3PIM2TGFBR1
SCHEMBL403971 0.78 JAK2 (0.66) KDM4ETYK2PIM1PIM3PIM2
SCHEMBL15428764 0.78 TGFBR1 (0.50) MEN1KMT2ATYK2PIM1PIM3
SCHEMBL405685 0.77 KDM4E (0.45) KDM4ETYK2TGFBR1IRAK4JAK2

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 MEN1 2920/4885KMT2A 1030/4885KDM4E 1299/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MEN1 2920/4885KMT2A 1030/4885KDM4E 1299/4885

“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.