SCHEMBL9985392

SCHEMBL9985392

CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(Nc4ccc(C5CNC5)cn4)c(=O)[nH]n3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.49
LCK P06239 5/20 0.49
EGFR P00533 3/20 0.49
BTK Q06187 11/20 0.45
KMT2A Q03164 2/20 0.43
SYK P43405 1/20 0.41
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
SCHEMBL12045259 1.00 JAK3 (0.49) JAK3LCKEGFRBTKKMT2A
SCHEMBL2464975 0.90 JAK3 (0.47) JAK3LCKEGFRBTKKMT2A
SCHEMBL2464981 0.90 JAK3 (0.47) JAK3LCKEGFRBTKKMT2A
SCHEMBL2494875 0.85 BTK (0.44) JAK3LCKEGFRBTKKMT2A
SCHEMBL2533354 0.82 BTK (0.45) JAK3LCKEGFRBTKKMT2A
SCHEMBL9985402 0.82 BTK (0.45) JAK3LCKEGFRBTKKMT2A
SCHEMBL2531656 0.82 BTK (0.45) JAK3LCKEGFRBTKKMT2A
SCHEMBL2491482 0.79 BTK (0.58) JAK3LCKEGFRBTKKMT2A
SCHEMBL12025092 0.78 BTK (0.49) JAK3LCKEGFRBTKKMT2A
SCHEMBL12044737 0.78 BTK (0.49) JAK3LCKEGFRBTKKMT2A

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 6 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-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
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 JAK3 89/4885LCK 3/4885EGFR 1027/4885

“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.