SCHEMBL1980402

SCHEMBL1980402

Cc1nc2[nH]c(N)nc(=O)c2nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
FABP6 P51161 1/20 0.33
PNP P00491 2/20 0.33
HPGD P15428 1/20 0.33
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1439539 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ECYP1A2L3MBTL1MAPT
SCHEMBL853172 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL7682920 0.74 KDM4E (0.47) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL4273098 0.73 NSD2 (0.51) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL29819457 0.71 KDM4E (0.51) ALDH1A1KDM4ELMNAGLAPMP22
Pterine SCHEMBL28301534 0.69 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAGLAPMP22
Pterine SCHEMBL64321 0.68 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL1024549 0.68 CYP1A2 (0.54) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL11103941 0.67 KDM4E (0.37) ALDH1A1KDM4ELMNAGLAPMP22
SCHEMBL3528784 0.67 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAGLAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110147217-A1 METHOD AND APPARATUS FOR CANCER SCREENING THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2011-06-23 US claimed
US-6576105-B1 Cancer monitoring and screening TRUMAN STATE UNIVERSITY 2003-06-10 US claimed
US-10011602-B2 Immunological reagents and uses therefor THE UNIVERSITY OF MELBOURNE (AU) 2018-07-03 US disclosed
US-9207205-B2 Method and apparatus for cancer screening THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-12-08 US disclosed
US-20150166542-A1 IMMUNOLOGICAL REAGENTS AND USES THEREFOR THE UNIVERSITY OF MELBOURNE (AU) 2015-06-18 US disclosed
WO-2014005194-A1 IMMUNOLOGICAL REAGENTS AND USES THEREFOR THE UNIVERSITY OF MELBOURNE (AU) 2014-01-09 WO disclosed
US-20110147217-A1 METHOD AND APPARATUS FOR CANCER SCREENING THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2011-06-23 US disclosed
EP-1332207-B1 TRANSFORMATION SYSTEMS FOR FLAVINOGENIC YEAST ARCHER DANIELS MIDLAND CO (US) 2008-10-29 EP disclosed
US-7009045-B2 Transformation systems for flavinogenic yeast ARCHER-DANIELS-MIDLAND COMPANY (US) 2006-03-07 US disclosed
EP-1332207-A2 TRANSFORMATION SYSTEMS FOR FLAVINOGENIC YEAST Abbas, Charles (US) 2003-08-06 EP disclosed
US-6576105-B1 Cancer monitoring and screening TRUMAN STATE UNIVERSITY 2003-06-10 US disclosed
WO-2000040744-A1 METHOD FOR SCREENING FOR INHIBITORS OF RIBOFLAVIN BIOSYNTHESIS BACHER ADELBERT (DE) 2000-07-13 WO disclosed
WO-2000023448-A1 NOVEL PTERIN ANTINEOPLASTIC AGENTS MOHENO PHILLIP B B (US) 2000-04-27 WO disclosed
US-5401844-A Chemical intermediates for treatment of parkinson*s disease SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION (US) 1995-03-28 US disclosed
US-5196533-A Treatment of Parkinson*s disease, inhibitor of thymidylate synthetase SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION, USA (US) 1993-03-23 US disclosed
EP-0138995-B1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES South Alabama Medical Science Foundation (US) 1991-08-14 EP disclosed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP disclosed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP disclosed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 WO disclosed
US-4371514-A Radioimmunoassay of pterins and novel pterin derivatives useful therefor DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 1983-02-01 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-20150166542-A1 IMMUNOLOGICAL REAGENTS AND USES THEREFOR CD81, MRGPRX1, MRGPRX2 ALDH1A1 526/4885KDM4E 3897/4885LMNA 3717/4885
US-10011602-B2 Immunological reagents and uses therefor CD81, MRGPRX1, MRGPRX2 ALDH1A1 526/4885KDM4E 3897/4885LMNA 3717/4885

“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.