SCHEMBL7984131

SCHEMBL7984131

CCNC(=O)c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.53
MAPK3 P27361 9/20 0.53
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
PARP1 P09874 1/20 0.44
FLT3 P36888 1/20 0.43
TTK P33981 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PDE2A O00408 1/20 0.43

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
SCHEMBL4780688 0.85 JAK2 (0.50) MAPK1MAPK3JAK2JAK1KDM4E
SCHEMBL7979377 0.84 MAPK1 (0.50) MAPK1MAPK3JAK2JAK1PARP1
SCHEMBL16125525 0.84 MAPK1 (0.58) MAPK1MAPK3FLT3KDM4EALDH1A1
SCHEMBL20217228 0.83 MAPK1 (0.77) MAPK1MAPK3TTKALDH1A1
SCHEMBL4403122 0.81 MAPK1 (0.43) MAPK1MAPK3JAK2JAK1KDM4E
SCHEMBL10325224 0.79 SCN9A (0.45) MAPK1MAPK3JAK2JAK1
SCHEMBL1145076 0.79 MAP2K4 (0.57) MAPK1MAPK3JAK2JAK1KDM4E
SCHEMBL16308650 0.79 KIF11 (0.50) MAPK1MAPK3JAK2JAK1KDM4E
SCHEMBL31504557 0.79 MAP2K4 (0.57) MAPK1MAPK3JAK2JAK1KDM4E
SCHEMBL13387169 0.78 DYRK1A (0.46) MAPK1JAK2JAK1KDM4EALDH1A1

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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 (1 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 MAPK1 467/4885MAPK3 744/4885JAK2 2148/4885

“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.