SCHEMBL155358

SCHEMBL155358

[c]1ncccc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
METAP1 P53582 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
TP53 P04637 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
ALOX15 P16050 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL40492 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4909130 0.77
SCHEMBL359859 0.76 METAP2 (0.37) KDM4ECYP1A2TP53NPC1RAB9A
SCHEMBL1198354 0.76 CYP2A6 (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16026579 0.76 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1925074 0.75 GOT1 (0.33) TP53
Dipyridyl SCHEMBL14841487 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
SCHEMBL186905 0.73 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL37815 0.72 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19439 0.71 NOTUM (0.39) CYP1A2NPC1RAB9AALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO claimed
US-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-31 US claimed
US-20180248145-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2018-08-30 US claimed
EP-3367456-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2018-08-29 EP claimed
EP-3191486-B1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP claimed
US-20180166634-A1 ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2018-06-14 US claimed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US claimed
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US claimed
EP-3191486-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP claimed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US claimed
US-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 US claimed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US claimed
CN-101583603-A Aromatic 1,4-di-carboxylamides and their use GENETICS CO INC (CH) 2009-11-18 CN claimed
EP-2061796-A2 AZETIDINE AND AZETIDINONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2009-05-27 EP claimed
JP-4210520-B2 2009-01-21 JP claimed
WO-2008033468-A2 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO claimed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US claimed
JP-2004517894-A 2004-06-17 JP claimed
EP-1353916-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-22 EP claimed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885LMNA 2215/4885CCR1 1920/4885
US-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 KDM4E 1102/4885LMNA 4800/4885CCR1 573/4885
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 KDM4E 1102/4885LMNA 4800/4885CCR1 573/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 KDM4E 1633/4885LMNA 3990/4885CCR1 1346/4885
US-20180166634-A1 ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND L1CAM, OR10J3, EML4 KDM4E 1971/4885LMNA 1410/4885CCR1 2858/4885

“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.