SCHEMBL1179644

SCHEMBL1179644

Cc1nccn1CC(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.53
ALPG P10696 2/20 0.53
ALPI P09923 1/20 0.53
PLAA Q9Y263 1/20 0.53
FDPS P14324 1/20 0.51
GFER P55789 1/20 0.51
NOS1 P29475 1/20 0.50
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12735399 0.82 ALPL (0.54) ALPLALPGALPIPLAAFDPS
SCHEMBL369240 0.82 ALPL (0.54) ALPLALPGALPIPLAAFDPS
SCHEMBL1178451 0.81 KMT2A (0.56) ALPLALPGALPIPLAAFDPS
SCHEMBL28938190 0.81 ALPL (0.53) ALPLALPGALPIPLAAFDPS
Hydrochloric Acid SCHEMBL28835895 0.81 ALPL (0.55) ALPLALPGALPIPLAAFDPS
SCHEMBL315751 0.80 KDM4E (0.50) ALPLALPGALPIPLAAFDPS
SCHEMBL25401370 0.79 ALPL (0.51) ALPLALPGALPIPLAAFDPS
SCHEMBL4298080 0.79 ALPL (0.51) ALPLALPGALPIPLAAFDPS
SCHEMBL23286087 0.79 ALPL (0.51) ALPLALPGALPIPLAAFDPS
SCHEMBL12693214 0.78 KDM4E (0.51) ALPLALPGALPIPLAAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958910-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS Domainex Limited (GB) 2015-12-30 EP claimed
WO-2014128486-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2014-08-28 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
WO-2024261328-A1 AMIDE-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
CN-104952621-A Electrolyte for aluminum electrolytic capacitor and aluminum electrolytic capacitor using same SHENZHEN CAPCHEM TECHNOLOGY CO LTD 2015-09-30 CN disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
EP-1465892-A4 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-30 EP disclosed
EP-1465892-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 EP disclosed
WO-2003048158-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO 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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS ALPL 650/4885ALPG 3876/4885ALPI 692/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK ALPL 4187/4885ALPG 3885/4885ALPI 2283/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALPL 34/4885ALPG 835/4885ALPI 89/4885

“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.