SCHEMBL760353

SCHEMBL760353

CC(=O)Nc1ncc(Br)cc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 5/20 0.39
EDNRA P25101 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KCNH2 Q12809 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SORT1 Q99523 1/20 0.37
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL25366886 0.87 NPC1 (0.49) NPC1ALDH1A1RAB9AEDNRATP53
SCHEMBL17593229 0.84 NPC1 (0.47) NPC1ALDH1A1RAB9AEDNRATP53
SCHEMBL11982873 0.84 DYRK1A (0.41) NPC1ALDH1A1MEN1KMT2ADYRK1A
SCHEMBL11637557 0.84 MAPT (0.51) NPC1ALDH1A1MEN1KMT2ADYRK1A
SCHEMBL4098480 0.82 DYRK1A (0.42) NPC1ALDH1A1MEN1KMT2ADYRK1A
SCHEMBL1433126 0.82 DYRK1A (0.42) NPC1ALDH1A1DYRK1ADYRK1BL3MBTL1
SCHEMBL6984523 0.81 L3MBTL1 (0.42) NPC1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1516710 0.81 DYRK1A (0.43) NPC1ALDH1A1MEN1KMT2ADYRK1A
SCHEMBL2325843 0.80 ALDH1A1 (0.47) NPC1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7933385 0.80 ALDH1A1 (0.44) NPC1ALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US disclosed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
EP-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6031105-A Substituted pyridines PFIZER INC (US) 2000-02-29 US disclosed
US-6008361-A Substituted pyridines PFIZER INC. (US) 1999-12-28 US disclosed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 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 (3 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R NPC1 3153/4885ALDH1A1 1558/4885MEN1 909/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 NPC1 58/4885ALDH1A1 89/4885MEN1 878/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 NPC1 58/4885ALDH1A1 89/4885MEN1 878/4885

“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.