SCHEMBL1165562

SCHEMBL1165562

Brc1ccnc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 3/20 0.43
CYP3A5 P20815 3/20 0.43
BRD4 O60885 3/20 0.41
DAO P14920 1/20 0.41
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 4/20 0.41
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
LMNA P02545 2/20 0.41
LRRK2 Q5S007 2/20 0.41
DRD3 P35462 1/20 0.41
XDH P47989 1/20 0.41
PRKCI P41743 1/20 0.39
G6PD P11413 1/20 0.39
MEN1 O00255 1/20 0.39
CSNK2A2 P19784 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL30788403 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL29367441 0.74 PI4KA (0.50) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL29804946 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4DAO
SCHEMBL3974202 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL2493987 0.74 BRD4 (0.51) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL7108989 0.74 PI4KA (0.50) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL323982 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL19778900 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4CDC7
SCHEMBL22830483 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4PI4KA
SCHEMBL2009562 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP3A5BRD4PI4KA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050073-B Polysubstituted phenyl bisimidazopyridine compound and synthetic method and application thereof 中国药科大学 2025-06-10 CN disclosed
CN-117050073-A Polysubstituted phenyl bisimidazopyridine compound and synthetic method and application thereof 中国药科大学 2023-11-14 CN disclosed
CN-117050074-A Pyridine bisimidazopyridine compound and preparation method and application thereof 中国药科大学 2023-11-14 CN disclosed
CN-117050075-A Biaryl ring BET inhibitor and synthetic method and application thereof 中国药科大学 2023-11-14 CN disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3159335-B1 NOVEL HETEROCYCLIC COMPOUND DAE WOONG PHARMA (KR) 2020-04-29 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-10081634-B2 Heterocyclic compound DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-09-25 US disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-8058289-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO SA (CH) 2011-11-15 US disclosed
EP-1786812-B1 PYRIDINE METHYLENE AZOLIDINONES AND THEIR USE AS PHOSPHOINOSITIDE INHIBITORS MERCK SERONO SA (CH) 2011-11-09 EP disclosed
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 US disclosed
US-7842698-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO S.A. (CH) 2010-11-30 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-20080269227-A1 Pyridine Methylene Azolidinones and Use Thereof Phosphoinositide Inhibitors APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-10-30 US disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (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-20080269227-A1 Pyridine Methylene Azolidinones and Use Thereof Phosphoinositide Inhibitors PIK3CD, PIK3CA, PIK3CB ALDH1A1 1437/4885CYP3A4 1562/4885CYP3A5 1084/4885
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN ALDH1A1 1232/4885CYP3A4 1632/4885CYP3A5 1066/4885
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 ALDH1A1 2094/4885CYP3A4 1192/4885CYP3A5 768/4885
US-10081634-B2 Heterocyclic compound AARS1, NSUN3, RNASE1 ALDH1A1 1349/4885CYP3A4 2706/4885CYP3A5 1297/4885

“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.