SCHEMBL2459907

SCHEMBL2459907

CC(C)(C)c1ccccc1C(=O)NC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.50
CDK2AP1 O14519 5/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA4 P43681 1/20 0.50
PBK Q96KB5 5/20 0.49
PARP1 P09874 1/20 0.48
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL13310656 0.85 RAB9A (0.63) NPC1RAB9A
SCHEMBL13310657 0.85 RAB9A (0.59) NPC1RAB9A
SCHEMBL1278935 0.83 NPC1 (0.69) CHEK1CDK2AP1PBKPARP1MAPK1
SCHEMBL1278937 0.83 NPC1 (0.69) CHEK1CDK2AP1PBKPARP1MAPK1
SCHEMBL1674869 0.83 NPC1 (0.69) CHEK1CDK2AP1PBKPARP1MAPK1
SCHEMBL31227213 0.80 CHEK1 (0.60) CHEK1CDK2AP1PBKPARP1
SCHEMBL7673369 0.80 CHEK1 (0.56) CHEK1CDK2AP1PBKPARP1
SCHEMBL29392153 0.80 CHEK1 (0.56) CHEK1CDK2AP1PBKPARP1
SCHEMBL5654175 0.80 CHEK1 (0.60) CHEK1CDK2AP1PBKPARP1
SCHEMBL3242517 0.77 MAPK1 (0.57) CHEK1CDK2AP1CHRNA1CHRNB2CHRNB4

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 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
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068788-A1 HETEROCYCLIC AMIDES AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068810-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2010-06-17 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 CHEK1 547/4885CDK2AP1 1830/4885CHRNA1 2558/4885

“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.