SCHEMBL13883296

SCHEMBL13883296

CC(C)c1cccc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
TP53 P04637 4/20 0.63
LMNA P02545 3/20 0.63
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALOX15 P16050 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
ALPL P05186 1/20 0.63
HSP90AA1 P07900 1/20 0.63
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP1A2 P05177 2/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL12922238 0.85 CCR1 (0.46) KDM4ETP53LMNACCR1CCR5
SCHEMBL16976538 0.85 KDM4E (0.59) KDM4ETP53LMNACCR1CCR5
SCHEMBL11795476 0.82 KDM4E (0.55) KDM4ETP53LMNACCR1CCR5
SCHEMBL9640626 0.81 KDM4E (0.63) KDM4ETP53LMNACCR1CCR5
SCHEMBL18158031 0.81 KDM4E (0.63) KDM4ETP53LMNACCR1CCR5
SCHEMBL9525347 0.80 KDM4E (0.52) KDM4ETP53LMNACCR1CCR5
Terpyridine SCHEMBL30610403 0.79 KDM4E (0.90) KDM4ETP53LMNACCR1CCR5
SCHEMBL7964803 0.79 KDM4E (1.00) KDM4ETP53LMNACCR1CCR5
SCHEMBL30172832 0.79 KDM4E (1.00) KDM4ETP53LMNACCR1CCR5
Terpyridine SCHEMBL57442 0.79 KDM4E (1.00) KDM4ETP53LMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134350-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2023-05-04 US disclosed
US-11111244-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2021-09-07 US disclosed
US-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-04-09 US disclosed
US-10454045-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-10-22 US disclosed
US-20190198781-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-06-27 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 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 (9 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-10454045-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 KDM4E 3721/4885TP53 2653/4885LMNA 2204/4885
US-20230134350-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OR10J3, ODC1, OTC KDM4E 2552/4885TP53 3800/4885LMNA 2237/4885
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R KDM4E 2876/4885TP53 3826/4885LMNA 4279/4885
US-20190198781-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 KDM4E 3721/4885TP53 2653/4885LMNA 2204/4885
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB KDM4E 1276/4885TP53 863/4885LMNA 1635/4885
US-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 KDM4E 3669/4885TP53 2613/4885LMNA 2184/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK KDM4E 472/4885TP53 1169/4885LMNA 4453/4885
US-11111244-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 KDM4E 3669/4885TP53 2613/4885LMNA 2184/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB KDM4E 1276/4885TP53 863/4885LMNA 1635/4885

“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.