SCHEMBL7979377

SCHEMBL7979377

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.50
MAPK3 P27361 9/20 0.50
JAK2 O60674 4/20 0.47
JAK1 P23458 4/20 0.47
TTK P33981 1/20 0.43
PARP1 P09874 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
SCHEMBL7984131 0.84 MAPK1 (0.53) MAPK1MAPK3JAK2JAK1TTK
SCHEMBL4407745 0.79 PRKAB2 (0.47) MAPK1MAPK3JAK2JAK1
SCHEMBL23675227 0.78 MAP2K4 (0.54) JAK2JAK1
SCHEMBL29564826 0.78 MAP2K4 (0.54) JAK2JAK1
SCHEMBL1145032 0.77 MAP2K4 (0.50) MAPK1JAK2JAK1
SCHEMBL13387169 0.77 DYRK1A (0.46) MAPK1JAK2JAK1
SCHEMBL4399990 0.75 JAK2 (0.41) MAPK1MAPK3JAK2JAK1
SCHEMBL6502471 0.75 MAPK1 (0.55) MAPK1MAPK3TTK
SCHEMBL4079654 0.73 FLT3 (0.55) MAPK1MAPK3TTK
SCHEMBL13386983 0.73 KDM4E (0.52) MAPK1

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.