SCHEMBL2461982

SCHEMBL2461982

Cn1nc(Nc2cc(-c3ccc(F)c(NC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.45
BACE1 P56817 7/20 0.36
BACE2 Q9Y5Z0 6/20 0.36
AAK1 Q2M2I8 1/20 0.35
HDAC3 O15379 3/20 0.34
NCOR1 O75376 1/20 0.34
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC2 Q92769 1/20 0.33
KRAS P01116 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
RAB9A P51151 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
SCHEMBL9984851 0.91 BTK (0.46) BTKBACE1BACE2AAK1NPC1
SCHEMBL2492191 0.86 BTK (0.63) BTKBACE1BACE2HDAC3
SCHEMBL19981766 0.85 BTK (0.41) BTKBACE1BACE2NPC1SMN1; SMN2
SCHEMBL9985066 0.84 BTK (0.40) BTKBACE1BACE2NPC1SMN1; SMN2
SCHEMBL2488504 0.84 BTK (0.51) BTKRAF1BRAF
SCHEMBL19981672 0.81 BTK (0.38) BTKBACE1BACE2AAK1HDAC3
SCHEMBL2461901 0.80 BTK (0.58) BTKHDAC2
SCHEMBL2490547 0.80 BTK (0.57) BTKNPC1SMN1; SMN2
SCHEMBL9984518 0.75 BTK (0.43) BTKSMN1; SMN2
SCHEMBL2493674 0.74 BTK (0.77) BTK

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 12 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-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 1/4885BACE1 3328/4885BACE2 3458/4885

“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.