SCHEMBL537962

SCHEMBL537962

[O]n1nnc2ccccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.46
GPR3 P46089 1/20 0.46
PTBP1 P26599 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL29350840 0.78 MEN1 (0.57) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL14438168 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL904817 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL2954 0.78 MEN1 (0.57) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL7607425 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL7606134 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4884291 0.76 MEN1 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL12247551 0.75 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL7872101 0.75 RAB9A (0.76) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL24437289 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES LINZ GUENTER (DE) 2013-03-28 US claimed
US-8372974-B2 Regioselective preparation of substituted pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US claimed
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US claimed
US-7897560-B2 Plasma protein affinity tags NOVO NORDISK A/S (DK) 2011-03-01 US claimed
US-20100184641-A1 Novel Plasma Protein Affinity Tags NOVO NORDISK A/S (DK) 2010-07-22 US claimed
US-20070105750-A1 Novel plasma protein affinity tags NOVO NORDISK A/S (DK) 2007-05-10 US claimed
EP-1667724-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2006-06-14 EP claimed
WO-2005028516-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2005-03-31 WO claimed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US claimed
EP-0247573-A2 Amino acid benzotriazinyl esters, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-02 EP claimed
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US claimed
EP-1995254-B1 METHOD OF PRODUCING PEPTIDES KANEKA CORP (JP) 2019-04-03 EP disclosed
US-9346850-B2 Method of producing peptide KANEKA CORPORATION (JP) 2016-05-24 US disclosed
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 US disclosed
US-8933227-B2 Selective synthesis of functionalized pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-13 US disclosed
EP-0247573-A3 AMINO ACID BENZOTRIAZINYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-21 EP disclosed
EP-0247573-A2 Amino acid benzotriazinyl esters, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-02 EP disclosed
EP-0247573-A2 Amino acid benzotriazinyl esters, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-02 EP disclosed
US-4474767-A Peptide and pseudopeptide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-02 US disclosed
EP-0109142-A2 Peptide and pseudopeptide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-23 EP 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 (5 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-20100184641-A1 Novel Plasma Protein Affinity Tags CD2BP2, HDLBP, SERPINA6 SMN1; SMN2 3053/4885ALDH1A1 4651/4885CYP1A2 4749/4885
US-20070105750-A1 Novel plasma protein affinity tags CD2BP2, HDLBP, SERPINA6 SMN1; SMN2 3053/4885ALDH1A1 4651/4885CYP1A2 4749/4885
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SAMHD1, TYMP, PNP SMN1; SMN2 433/4885ALDH1A1 1868/4885CYP1A2 3459/4885
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP SMN1; SMN2 2143/4885ALDH1A1 751/4885CYP1A2 261/4885
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP SMN1; SMN2 2083/4885ALDH1A1 775/4885CYP1A2 236/4885

“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.