SCHEMBL4058851

SCHEMBL4058851

CN1CN(C)c2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ ADORA2A P29274 3/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31

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
Iodide SCHEMBL1609671 0.98 KMT2A (0.32) KMT2AADORA2AADORA2BKDM4EALDH1A1
SCHEMBL12473823 0.85 KMT2A (0.32) KMT2AADORA2AADORA2BKDM4EALDH1A1
SCHEMBL12713879 0.70 SMN1; SMN2 (0.42) KMT2A
SCHEMBL539004 0.69 KMT2A (0.54) KMT2AADORA2AADORA2BALDH1A1
SCHEMBL1008469 0.65 ADORA2A (0.31) ADORA2A
SCHEMBL15214970 0.64 KMT2A (0.31) KMT2AADORA2A
SCHEMBL21891274 0.63 ADORA2A (0.35) KMT2AADORA2AADORA2BKDM4EALDH1A1
SCHEMBL21891275 0.63 ALDH1A1 (0.33) KMT2AADORA2AADORA2BALDH1A1
SCHEMBL3192497 0.63 KDM4E (0.30) KMT2AKDM4E
SCHEMBL141994 0.59 GSK3A (0.44) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850279-B Theophylline derived spontaneous combustion ionic salt and preparation method thereof 哈尔滨工业大学(深圳) 2024-11-15 — — CN disclosed
WO-2020070672-A1 HYDRIDE DONORS AS AN ADDITIVE FOR REDUCING LOW SPEED PRE-IGNITION EVENTS CHEVRON ORONITE COMPANY LLC (US) 2020-04-09 — — WO disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 — — WO disclosed
EP-1660444-B1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS UNIV AKRON (US) 2014-11-12 — — EP disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — US disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — US disclosed
CN-103327816-A Metal complexes of N-heterocyclic carbenes UNIV AKRON 2013-09-25 — — CN disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
EP-2268652-B1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 — — EP disclosed
WO-2011046942-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-21 — — WO disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 — — US disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 — — US disclosed
CN-101955494-A Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIV AKRON 2011-01-26 — — CN disclosed
WO-2009118475-A2 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-01 — — WO disclosed
US-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics UNIVERSITY OF AKRON 2008-10-30 — — US disclosed
US-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics UNIVERSITY OF AKRON 2008-10-30 — — US disclosed
CN-1926141-A Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIV AKRON (US) 2007-03-07 — — CN disclosed
US-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIVERSITY OF AKRON 2007-01-25 — — US disclosed
US-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIVERSITY OF AKRON 2007-01-25 — — 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 (3 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-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics MKI67, C1S, CYC1 KMT2A 3072/4885ADORA2A 2258/4885ADORA2B 1986/4885
US-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics MKI67, AHR, ARNT KMT2A 2553/4885ADORA2A 2245/4885ADORA2B 1920/4885
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES NOD2, ARNT, FPR1 KMT2A 2765/4885ADORA2A 993/4885ADORA2B 798/4885

“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.

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