SCHEMBL9984591

SCHEMBL9984591

CN1CCn2nc(Nc3cc(N4CC[C@@H](NC(=O)c5ccc(C(C)(C)C)cc5)C4)nn(C)c3=O)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.47
LCK P06239 2/20 0.40
JAK3 P52333 2/20 0.40
SYK P43405 2/20 0.40
EGFR P00533 1/20 0.39
KMT2A Q03164 3/20 0.38
SLC6A5 Q9Y345 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9984843 0.95 BTK (0.47) BTKLCKJAK3SYKEGFR
SCHEMBL2492299 0.95 BTK (0.47) BTKLCKJAK3SYKEGFR
SCHEMBL2490655 0.95 BTK (0.47) BTKLCKJAK3SYKEGFR
SCHEMBL2491855 0.88 SYK (0.41) BTKLCKJAK3SYKEGFR
SCHEMBL2494684 0.84 SYK (0.40) BTKLCKJAK3SYKEGFR
SCHEMBL2491482 0.84 BTK (0.58) BTKLCKJAK3EGFRKMT2A
SCHEMBL2490830 0.81 BTK (0.47) BTKLCKJAK3SYKEGFR
SCHEMBL2490832 0.81 BTK (0.47) BTKLCKJAK3SYKEGFR
SCHEMBL9985224 0.81 BTK (0.49) BTKLCKJAK3SYKEGFR
SCHEMBL2488047 0.81 SYK (0.37) BTKLCKJAK3SYKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP claimed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US 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
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.