SCHEMBL2459877

SCHEMBL2459877

CN1CCN(c2ccc(Nc3cc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)n4)n[nH]c3=O)nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.56
CCNK O75909 2/20 0.43
CCND3 P30281 2/20 0.43
CDK9 P50750 2/20 0.43
CDK6 Q00534 2/20 0.43
KDR P35968 2/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
FLT3 P36888 5/20 0.43
CCNT1 O60563 1/20 0.42
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.41
F10 P00742 4/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
ITK Q08881 1/20 0.41
AURKA O14965 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 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
SCHEMBL17580874 0.77 BTK (0.72) BTKKDRLCKMAPK14F10
SCHEMBL2464982 0.75 BTK (0.49) BTKKDRLCKMAPK14F10
SCHEMBL13893944 0.74 BTK (0.53) BTK
SCHEMBL2467008 0.74 BTK (0.54) BTKSRC
SCHEMBL19981889 0.72 BTK (0.45) BTKCCNKCCND3CDK9CDK6
SCHEMBL1322473 0.72 BTK (1.00) BTK
SCHEMBL2492037 0.72 BTK (0.59) BTKSRC
SCHEMBL9984944 0.72 BTK (0.44) BTKSRC
SCHEMBL2490514 0.72 BTK (0.55) BTKFLT3
SCHEMBL2488701 0.71 BTK (0.70) BTKSRC

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 10 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

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 1/4885CCNK 638/4885CCND3 1381/4885

“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.