SCHEMBL15428581

SCHEMBL15428581

Cc1ccc(C)c(-n2nccc2C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
NR3C2 P08235 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 3/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
DNMT1 P26358 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL15428646 0.81 NR3C2 (0.50) ALDH1A1MEN1KMT2AHSD17B10NR3C2
SCHEMBL15428656 0.76 NR3C2 (0.39) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL15428750 0.76 NR3C2 (0.53) ALDH1A1KMT2AHSD17B10GAANR3C2
SCHEMBL15428582 0.76 HSD17B10 (0.44) ALDH1A1HSD17B10GAANPBWR1MCHR1
SCHEMBL16320168 0.74 TGFBR1 (0.39) ALDH1A1NR3C2MAPTKDM4EPKM
SCHEMBL8029733 0.74 RIPK2 (0.52) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL16320981 0.72 KDM5B (0.40) NR3C2
SCHEMBL16321217 0.71 SIRT3 (0.37) ALDH1A1HSD17B10NR3C2TSHRTDP1
SCHEMBL6525481 0.70 NPC1 (0.46) ALDH1A1HSD17B10HPGDNR3C2TSHR
SCHEMBL15428607 0.70 NR3C2 (0.43) NR3C2L3MBTL1

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 ALDH1A1 1236/4885MEN1 2920/4885KMT2A 1030/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885MEN1 2920/4885KMT2A 1030/4885

“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.