Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489879

SCHEMBL2489879

SCHEMBL2489879

Cn1nc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)nn(C)c2=O)cc1CN1CC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.52
▸ FGR P09769 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ TEC P42680 1/20 0.40
▸ BMX P51813 1/20 0.40
▸ HDAC1 Q13547 1/20 0.37
▸ BCL6 P41182 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ DHPS P49366 1/20 0.34
▸ TMIGD3 P0DMS9 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ STAT1 P42224 1/20 0.34

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
SCHEMBL2491721 0.92 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2490588 0.90 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL2462334 0.84 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL2461901 0.84 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2488913 0.81 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL9984471 0.79 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL2490951 0.79 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL9985016 0.79 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL2492216 0.79 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2495061 0.79 BTK (0.67) BTKFGRSRCTECBMX

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 — — US claimed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — US claimed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 — — EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO claimed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 — — EP disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — 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 (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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK BTK 1/4885FGR 1105/4885SRC 139/4885

“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.