SCHEMBL553125

SCHEMBL553125

NCC1(N2CCCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 4/20 0.36
SIGMAR1 Q99720 3/20 0.34
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
MC4R P32245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PRCP P42785 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL3930544 1.00 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL31441143 1.00 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
Hydrochloric Acid SCHEMBL1828960 0.98 OPRM1 (0.35) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL25165704 0.97 KMT2A (0.37) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL8265735 0.97 KMT2A (0.37) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL16757065 0.95 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL470816 0.95 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL4590548 0.90 GAA (0.38) KMT2AGAARAD52KCNH2
SCHEMBL30699749 0.87 GAA (0.37) KMT2AGAARAD52
SCHEMBL16143384 0.82 GAA (0.50) KMT2AGAARAD52SIGMAR1MC4R

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297693-B2 Nitrogen-containing heterocyclic compounds and their use as Raf inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2007-11-20 US claimed
EP-1432702-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS RAF INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-16 EP claimed
US-20040209883-A1 Nitrogen-containing heterocyclic compounds and their use as raf inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-21 US claimed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
CN-101247804-B chemical compound SMITHKLINE BEECHAM CORP 2012-09-26 CN disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
US-7297693-B2 Nitrogen-containing heterocyclic compounds and their use as Raf inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2007-11-20 US disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
EP-1432702-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS RAF INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-16 EP 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 (4 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA KMT2A 629/4885GAA 4581/4885RAD52 3370/4885
US-20040209883-A1 Nitrogen-containing heterocyclic compounds and their use as raf inhibitors BRAF, RAF1, NPR1 KMT2A 3248/4885GAA 4458/4885RAD52 2855/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 KMT2A 1936/4885GAA 2863/4885RAD52 1923/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA KMT2A 629/4885GAA 4581/4885RAD52 3370/4885

“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.