SCHEMBL2464012

SCHEMBL2464012

CC(C)(C)c1cnc(C(=O)Nc2cc(-c3cc(Nc4cc(C5CC5)[nH]n4)c(=O)[nH]n3)ccc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.52
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
NTRK1 P04629 2/20 0.38
PLK4 O00444 1/20 0.38
IGF1R P08069 3/20 0.36
USP30 Q70CQ3 1/20 0.36
CDK7 P50613 2/20 0.35
CDK13 Q14004 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL19981670 0.90 BTK (0.44) BTKNTRK1IGF1RCDK7CDK13
SCHEMBL9984917 0.86 BTK (0.43) BTKCCNA2CDK2CCNA1NTRK1
SCHEMBL2461976 0.84 BTK (0.50) BTKCDK2
SCHEMBL12045185 0.84 CCNA2 (0.48) BTKCCNA2CDK2CCNA1
SCHEMBL2463710 0.83 BTK (0.51) BTK
SCHEMBL2494331 0.83 BTK (0.48) BTKCCNA2CDK2CCNA1
SCHEMBL2490547 0.82 BTK (0.57) BTKSYK
SCHEMBL2465074 0.82 BTK (0.51) BTK
SCHEMBL9984819 0.81 BTK (0.61) BTKSYK
SCHEMBL2493674 0.81 BTK (0.77) BTKSYK

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 11 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
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 1/4885CCNA2 1346/4885CDK2 396/4885

“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.