SCHEMBL2490830

SCHEMBL2490830

Cc1cc(Nc2cc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)C3)nn(C)c2=O)nn1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.47
LCK P06239 3/20 0.46
JAK3 P52333 3/20 0.46
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.45
SYK P43405 2/20 0.44
MEN1 O00255 1/20 0.40

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
SCHEMBL2490832 1.00 BTK (0.47) BTKLCKJAK3KMT2AEGFR
SCHEMBL12045171 0.90 SYK (0.44) BTKLCKJAK3KMT2AEGFR
SCHEMBL9985402 0.88 BTK (0.45) BTKLCKJAK3KMT2AEGFR
SCHEMBL2531656 0.88 BTK (0.45) BTKLCKJAK3KMT2AEGFR
SCHEMBL2533354 0.88 BTK (0.45) BTKLCKJAK3KMT2AEGFR
SCHEMBL9984843 0.86 BTK (0.47) BTKLCKJAK3KMT2AEGFR
SCHEMBL12025078 0.86 SYK (0.49) BTKLCKJAK3KMT2AEGFR
SCHEMBL12025066 0.86 BTK (0.40) BTKLCKJAK3KMT2AEGFR
SCHEMBL19981851 0.85 GFER (0.36) BTKLCKJAK3EGFRSYK
SCHEMBL9985180 0.84 LCK (0.46) BTKLCKJAK3KMT2AEGFR

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 16 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
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
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068788-A1 HETEROCYCLIC AMIDES AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068788-A1 HETEROCYCLIC AMIDES AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068810-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK BTK 1/4885LCK 3/4885JAK3 89/4885

“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.