SCHEMBL725362

SCHEMBL725362

Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
XDH P47989 6/20 0.58
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
MAPK14 Q16539 3/20 0.53
RAF1 P04049 2/20 0.53
MAPK9 P45984 1/20 0.53
GCGR P47871 1/20 0.51
MGAM O43451 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL23437869 0.89 MAPK13 (0.60) KDM4EHPGDSMN1; SMN2XDHALDH1A1
SCHEMBL23437871 0.85 MAPT (0.63) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL23437865 0.85 MAPK13 (0.64) KDM4EHPGDSMN1; SMN2XDHMAPK13
SCHEMBL5157870 0.81 XDH (0.59) KDM4EHPGDSMN1; SMN2XDHALDH1A1
SCHEMBL23437867 0.80 MAPK14 (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL739928 0.78 MAPK13 (0.72) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL31683723 0.78 XDH (0.46) KDM4EHPGDSMN1; SMN2XDHALDH1A1
SCHEMBL1980159 0.78 XDH (0.50) KDM4EHPGDSMN1; SMN2XDHALDH1A1
Benzene SCHEMBL28852698 0.77 MAPK13 (0.82) KDM4EHPGDALDH1A1MAPK13MAPK12
SCHEMBL104130 0.77 MAPK13 (0.82) KDM4EHPGDALDH1A1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-5380713-A Serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-10 US claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
US-8646616-B2 Composite membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-11 US disclosed
CN-103554111-A Aromatic heterocyclic pyridine derivatives and analogs, and preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2014-02-05 CN disclosed
CN-101671336-B Aromatic heterocyclic pyrimidine derivative and analogue, preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2013-11-13 CN disclosed
CN-103044337-A Synthetic method of 2-(N-alkyl)aminooimidazole derivatives UNIV NANJING SCIENCE & TECH 2013-04-17 CN disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011149572-A1 POLYAMIDE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-01 WO disclosed
US-20110284454-A1 COMPOSITE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-11-24 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO disclosed
CN-101671336-A Aromatic heterocyclic pyrimidine derivative and analogue, preparation method and application thereof LIAONING LIFENG SCIENCE AND TE 2010-03-17 CN disclosed
CN-101631779-A Aspartyl protease inhibitors containing a tricyclic ring system SCHERING CORP 2010-01-20 CN disclosed
US-5380713-A Serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-10 US disclosed
EP-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP disclosed
EP-0236628-B1 INHIBITION OF THE 5-LIPOXYGENASE PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 1992-12-02 EP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 KDM4E 2909/4885HPGD 1298/4885SMN1; SMN2 3123/4885
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 KDM4E 3483/4885HPGD 1664/4885SMN1; SMN2 1771/4885

“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.