SCHEMBL6311635

SCHEMBL6311635

Nc1nc(N)c2c(C=O)cnc-2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
DHFR P00374 1/20 0.31
GAA P10253 1/20 0.31
RAD52 P43351 1/20 0.31
BLM P54132 1/20 0.31
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 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
SCHEMBL17500019 0.73 FABP6 (0.36) KDM4EALDH1A1MAPTKMT2ADHFR
SCHEMBL6311839 0.69 CSNK1A1 (0.43) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL16755657 0.64 KDM4E (0.42) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL4716502 0.63
SCHEMBL29551741 0.61 ABL1 (0.32) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL4072762 0.61
SCHEMBL27103191 0.61 CSNK1A1 (0.46) KDM4EALDH1A1GAACDK1
SCHEMBL8626075 0.61 LMNA (0.43) KDM4EALDH1A1LMNAPMP22KMT2A
SCHEMBL1738260 0.60 NOS3 (0.35) DHFRBLM
SCHEMBL1738564 0.60 FABP6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2353/4885ALDH1A1 1172/4885HSD17B10 4080/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD KDM4E 2353/4885ALDH1A1 1172/4885HSD17B10 4080/4885
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives TYMS, TYMP, DPYD KDM4E 1931/4885ALDH1A1 1355/4885HSD17B10 4281/4885

“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.