SCHEMBL6311834

SCHEMBL6311834

N#Cc1c[nH]c2nc(N)nc(N)c12

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHUK O15111 19/20 0.71
IKBKB O14920 5/20 0.58

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
Toyocamycin Aglycone SCHEMBL7698538 0.76 MAP3K7 (0.54) CHUK
SCHEMBL21896052 0.73 CHUK (0.43) CHUK
SCHEMBL17500018 0.72 CHUK (0.42) CHUK
SCHEMBL16177465 0.71 LRRK2 (0.63) CHUKIKBKB
SCHEMBL94358 0.71 CHUK (0.56) CHUKIKBKB
SCHEMBL25401085 0.70 CHUK (0.51) CHUKIKBKB
SCHEMBL13833443 0.69
SCHEMBL6311633 0.68 CHUK (0.41) CHUK
SCHEMBL31095312 0.68 CHUK (0.71) CHUKIKBKB
SCHEMBL19010829 0.68 CHUK (0.71) CHUKIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707487-B1 RIBOSWITCHES UNIV MANCHESTER (GB) 2017-10-04 EP disclosed
US-20140213779-A1 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2014-07-31 US disclosed
US-20140213779-A1 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2014-07-31 US disclosed
WO-2012153142-A2 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2012-11-15 WO disclosed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 US disclosed
US-6696455-B1 NITROGEN COMPOUNDS SUCH AS 6-CHLORO-2-METHYL-4-OXO-PYRIDO (3,2-D)PYRIMIDINE USED AS ANTICARCINOGENIC AGENTS AND/OR FOR PROPHYLAXIS OF INFECTIONS CAUSED BY PNEUMOCYSTIS OR TOXOPLASMA DUQUESNE UNIVERSITY OF THE HOLY GHOST 2004-02-24 US disclosed
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2003-07-31 US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
US-6518426-B1 Novel pyrrolo(3,2-d)pyrimidine derivatives of the following general formula compounds are useful in the treatment of bacterial infections such as Toxoplasmosis gondii and Pneumocystis carinii, and various types of cancer, DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-02-11 US disclosed
US-6420370-B1 ANTITUMOR, ANTIBIOTIC, ANTIMALARIAL, ANTIFUNGAL OR ANTIPROTOZOAL AGENTS, OR AS SYNERGISTIC AGENTS ENZYME INHIBITORS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-07-16 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 US disclosed
US-6221872-B1 DEBROMINATING A PYRROLE; FUSING THE PRODUCT WITH AN AMIDINE; CONDENSING THE PRODUCT WITH A NUCLEOPHILE; REDUCING AND PURIFYING DUQUESNE UNIVERSITY OF THE HOLY GHOST 2001-04-24 US disclosed
US-6103727-A RESISTING AND TREATING PNEUNOCYSTIS CARINII AND TOXOPLASMOSIS GONDII INFECTIONS IN IMMUNOCOMPROMISED PATIENTS; AUTOMIMMUNE DISEASES; AIDS; ANTICARCINOGENIC,-TUMOR,-PROTAZOA AGENTS; MALARIA; FUNGICIDES; SYNERGISTIC WITH SULFONAMIDES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-15 US disclosed
US-6096750-A Furopyrimidines and methods of making and using the same derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-01 US disclosed
US-6077844-A FOR TREATING ILLNESSES SUCH AS CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-06-20 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-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD CHUK 341/4885IKBKB 1113/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD CHUK 341/4885IKBKB 1113/4885
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives TYMS, TYMP, DPYD CHUK 139/4885IKBKB 528/4885

“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.