SCHEMBL171272

SCHEMBL171272

Cc1nc2c([nH]1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.48
HRH4 Q9H3N8 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TYMS P04818 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL10281378 0.98 HAVCR2 (0.47) HAVCR2HRH4SMPD3NPC1RAB9A
SCHEMBL17128162 0.98 HAVCR2 (0.47) HAVCR2HRH4SMPD3NPC1RAB9A
SCHEMBL2756447 0.95
SCHEMBL1916539 0.77 HAVCR2 (0.37) HAVCR2PARP1PARP15PARP3TYMS
SCHEMBL1916066 0.77 HTR2C (0.41) HAVCR2PARP1PARP15PARP3TYMS
SCHEMBL23732125 0.74 HAVCR2 (0.36) HAVCR2NOS3NOS1NOS2
SCHEMBL12082584 0.74 HRH4 (0.41) HAVCR2HRH4PARP1PARP15PARP3
SCHEMBL214394 0.71 ACHE (0.39) HRH4SMPD3KDM4ETSHRNOS3
SCHEMBL31563608 0.71 HRH4 (0.38) HRH4SMPD3TSHRACHE
SCHEMBL2254884 0.71 HRH4 (0.38) HRH4SMPD3TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364479-B2 Ligand-exchanged zeolite imidazolate frameworks EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2022-06-21 US claimed
US-20190282997-A1 LIGAND-EXCHANGED ZEOLITE IMIDAZOLATE FRAMEWORKS EXXONMOBIL RES & ENG CO (US) 2019-09-19 US claimed
EP-4412957-B1 EMM-68 ALUMINOSILICATE ZEOLITES, SYNTHESES, AND USES EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2025-10-01 EP disclosed
EP-4486698-A1 EMM-73 MOLECULAR SIEVE COMPOSITIONS, SYNTHESES, AND USES ExxonMobil Technology and Engineering Company (US) 2025-01-08 EP disclosed
US-20240425379-A1 EMM-73 MOLECULAR SIEVE COMPOSITIONS, SYNTHESES, AND USES ExxonMobil Technology and Engineering Company 2024-12-26 US disclosed
EP-4466224-A1 EMM-70 ZEOLITE COMPOSITIONS, SYNTHESES, AND USES ExxonMobil Technology and Engineering Company (US) 2024-11-27 EP disclosed
US-20240383763-A1 EMM-68 Aluminosilicate Zeolites, Syntheses, And Uses EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2024-11-21 US disclosed
CN-118829611-A EMM-73 molecular sieve compositions, synthesis and uses 埃克森美孚技术与工程公司 2024-10-22 CN disclosed
CN-118591508-A EMM-70 zeolite compositions, synthesis and uses 埃克森美孚技术与工程公司 2024-09-03 CN disclosed
EP-4412957-A1 EMM-68 ALUMINOSILICATE ZEOLITES, SYNTHESES, AND USES ExxonMobil Technology and Engineering Company (US) 2024-08-14 EP disclosed
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2024-07-18 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
WO-2004100996-A1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-11-25 WO disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 WO disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed
US-4788205-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1988-11-29 US disclosed
EP-0258033-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-03-02 EP disclosed
US-3987054-A CORROSION INHIBITORS PLIVA PHARMACEUTICAL AND CHEMICAL WORKS (YU) 1976-10-19 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 HAVCR2 2866/4885HRH4 790/4885SMPD3 2388/4885
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS SLC40A1, HAMP, TFRC HAVCR2 656/4885HRH4 2053/4885SMPD3 867/4885

“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.