SCHEMBL3686490

SCHEMBL3686490

c1ccc(-c2cnc3ccccc3n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
LMNA P02545 3/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
CYP1A2 P05177 3/20 0.58
POLB P06746 1/20 0.58
METAP1 P53582 1/20 0.58
BLM P54132 1/20 0.58
HIF1A Q16665 1/20 0.58
DOHH Q9BU89 1/20 0.58
P4HTM Q9NXG6 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 4/20 0.56
ALOX15 P16050 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56

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
SCHEMBL30161801 1.00 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19066619 0.98 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29942654 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29614829 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29966674 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL3076524 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL13154419 0.84 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
Phenazine SCHEMBL25380403 0.84 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12971527 0.82 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11992044 0.82 TGFBR1 (0.60) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173927-A Pyridyl quinoxaline delayed luminescence derivative and preparation method thereof 南昌万季科技有限公司 2021-07-27 CN claimed
EP-3397642-A1 DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES Atilim Universitesi (TR) 2018-11-07 EP claimed
WO-2017116356-A1 DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES ATILIM UNIVERSITESI (TR) 2017-07-06 WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
EP-1377552-B1 METAL COMPLEXES AND THERAPEUTIC USES THEREOF UNIV SYDNEY (AU) 2006-05-17 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
US-20040152686-A1 Metal complexes and therapeutic uses thereof THE UNIVERSITY OF WESTERN SYDNEY (AU) 2004-08-05 US claimed
EP-1377552-A4 METAL COMPLEXES AND THERAPEUTIC USES THEREOF UNIV SYDNEY (AU) 2004-06-16 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1377552-A1 METAL COMPLEXES AND THERAPEUTIC USES THEREOF University of Sydney (AU) 2004-01-07 EP claimed
CN-1389443-A Nicket compound catalyst for olefine oligomerization and its prepn. and application CHINESE ACAD INST CHEMISTRY (CN) 2003-01-08 CN claimed
WO-2002066435-A1 METAL COMPLEXES AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF SYDNEY (AU) 2002-08-29 WO claimed
CN-118324818-A Metal iridium complex with photoactivation performance and preparation method and application thereof 东南大学 2024-07-12 CN disclosed
CN-113173927-A Pyridyl quinoxaline delayed luminescence derivative and preparation method thereof 南昌万季科技有限公司 2021-07-27 CN disclosed
CN-113173927-A Pyridyl quinoxaline delayed luminescence derivative and preparation method thereof 南昌万季科技有限公司 2021-07-27 CN disclosed
CN-1389443-A Nicket compound catalyst for olefine oligomerization and its prepn. and application CHINESE ACAD INST CHEMISTRY (CN) 2003-01-08 CN disclosed
CN-1389443-A Nicket compound catalyst for olefine oligomerization and its prepn. and application CHINESE ACAD INST CHEMISTRY (CN) 2003-01-08 CN disclosed
US-4297362-A 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic STERLING DRUG INC. (US) 1981-10-27 US 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 (2 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 KDM4E 1868/4885LMNA 178/4885CCR1 2624/4885
US-20040152686-A1 Metal complexes and therapeutic uses thereof SOD1, PDCD1LG2, SLC30A5 KDM4E 4186/4885LMNA 1585/4885CCR1 173/4885

“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.