SCHEMBL15428595

SCHEMBL15428595

CC(C)(C)NC(=O)c1cnn2ccc(N(c3cccnc3)[SH](=O)=O)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
NTRK1 P04629 11/20 0.42
JAK2 O60674 10/20 0.42
HTT P42858 1/20 0.41
GAK O14976 1/20 0.39
STK17B O94768 1/20 0.39
CSNK2A1 P68400 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
STK17A Q9UEE5 1/20 0.39
TGFBR1 P36897 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL403801 0.88 SYK (0.56) SYKNTRK1JAK2HTTGAK
SCHEMBL15428575 0.81 NTRK1 (0.43) NTRK1JAK2GAKSTK17BCSNK2A1
SCHEMBL15428709 0.80 EPHB3 (0.43) NTRK1JAK2KDM4EHSD17B10IRAK4
SCHEMBL15428578 0.80 NTRK1 (0.45) NTRK1JAK2LMNA
SCHEMBL15428669 0.79 NTRK1 (0.54) NTRK1JAK2
SCHEMBL404689 0.79 SYK (0.46) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL403926 0.74 SYK (0.41) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL402142 0.74 NTRK1 (0.43) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL404422 0.74 HTT (0.60) NTRK1JAK2HTTKDM4EALDH1A1
SCHEMBL403236 0.73 HTT (0.53) NTRK1JAK2HTTALDH1A1IRAK4

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 SYK 26/4885NTRK1 2693/4885JAK2 1/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SYK 26/4885NTRK1 2693/4885JAK2 1/4885

“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.