SCHEMBL16246318

SCHEMBL16246318

CC(C)(C)OC(=O)Nc1cnc(CCOS(C)(=O)=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 6/20 0.40
▸ NAMPT P43490 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ATR Q13535 1/20 0.34
▸ CA1 P00915 6/20 0.34
▸ CA2 P00918 6/20 0.34
▸ CA12 O43570 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ BCL2 P10415 1/20 0.32

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
SCHEMBL16680405 0.85 MAPKAPK2 (0.41) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL16246245 0.82 MAPKAPK2 (0.44) MAPKAPK2NAMPT
SCHEMBL19053692 0.82 MAPKAPK2 (0.42) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL27903353 0.81 MAPKAPK2 (0.41) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL12710197 0.80 CCR2 (0.42) MAPKAPK2CA1CA12
SCHEMBL13323075 0.79 GSK3B (0.41) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL16679411 0.79 MAPKAPK2 (0.40) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL7452419 0.78 MAPKAPK2 (0.42) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL611654 0.78 GSK3B (0.40) MAPKAPK2NAMPTGSK3BDYRK1AATR
SCHEMBL29934934 0.78 GSK3B (0.40) MAPKAPK2NAMPTGSK3BDYRK1AATR

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
EP-2994470-B1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-05-12 — — US disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 — — EP disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 — — 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-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS FGFR1, FGFR3, FGFR2 MAPKAPK2 1497/4885NAMPT 833/4885GSK3B 1156/4885

“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.

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