SCHEMBL15428678

SCHEMBL15428678

NC(=O)c1conc1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
CDC7 O00311 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
SLC9A1 P19634 1/20 0.41
SCN9A Q15858 5/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMO O15229 2/20 0.38
NOTUM Q6P988 2/20 0.38
PSMB8 P28062 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL27860631 0.87 ALDH1A1 (0.46) GPBAR1PTPN1ALDH1A1HPGDKMO
SCHEMBL10968465 0.78 GPBAR1 (0.59) PARP1SCN9AGPBAR1ALDH1A1NPC1
SCHEMBL3243766 0.78 IKBKB (0.44) SLC9A1GPBAR1ALDH1A1HPGDNPC1
SCHEMBL15428680 0.77 DPP4 (0.42) CDC7CCNE1CDK2DBF4SCN9A
SCHEMBL30673409 0.75 PARP1 (0.51) PARP1CDC7CCNE1CDK2DBF4
SCHEMBL5694519 0.75 PARP1 (0.51) PARP1CDC7CCNE1CDK2DBF4
SCHEMBL30608075 0.75 PARP1 (0.56) PARP1SLC9A1SCN9ASCN10AALDH1A1
SCHEMBL5143960 0.75 PARP1 (0.56) PARP1SLC9A1SCN9ASCN10AALDH1A1
SCHEMBL28186241 0.74 NOTUM (0.39) SLC9A1SCN9AGPBAR1ALDH1A1HPGD
SCHEMBL892702 0.73 MEN1 (0.49) PARP1ALDH1A1NPC1RAB9A

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 PARP1 2548/4885CDC7 341/4885CCNE1 516/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PARP1 2548/4885CDC7 341/4885CCNE1 516/4885

“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.