SCHEMBL15428682

SCHEMBL15428682

Cc1cc(C(N)=O)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SLC34A1 Q06495 2/20 0.42
PKM P14618 1/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
F10 P00742 1/20 0.41
TSHR P16473 2/20 0.40
FLT3 P36888 1/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL3225544 0.87 TSHR (0.46) ALDH1A1SLC34A1PKMTSHRKMT2A
SCHEMBL27500737 0.86 TSHR (0.42) ALDH1A1SLC34A1PKMF10TSHR
SCHEMBL15428605 0.85 F10 (0.55) ALDH1A1F10TSHRFLT3KMT2A
SCHEMBL30853162 0.83 CCNA2 (0.41) CCNA2CDK2CCNA1FLT3KDM1A
SCHEMBL3228828 0.81 SLC34A1 (0.49) ALDH1A1HPGDSLC34A1TSHRKMT2A
SCHEMBL15428613 0.81 MAPT (0.54) ALDH1A1HPGDTSHRKMT2AMAPT
SCHEMBL15428721 0.81 POLB (0.53) ALDH1A1HPGDF10KMT2AMAPT
SCHEMBL3074249 0.80 TSHR (0.58) ALDH1A1HPGDTSHRKMT2AMAPT
SCHEMBL15428691 0.80 AR (0.44) ALDH1A1PKMF10KMT2AMAPT
SCHEMBL15428694 0.80 KDM4E (0.40) ALDH1A1PKMF10KMT2A

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 1236/4885HPGD 2251/4885SLC34A1 3722/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885HPGD 2251/4885SLC34A1 3722/4885

“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.