SCHEMBL398915

SCHEMBL398915

Cc1ccc(N=C=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.32
HPGDS O60760 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
SCHEMBL30298639 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL8379008 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL21518466 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL1783888 0.77 CYP3A4 (0.43) CYP3A4TRPA1TSHRMAPK1TDP1
SCHEMBL30520078 0.77 CYP3A4 (0.43) CYP3A4TRPA1TSHRMAPK1TDP1
SCHEMBL2374929 0.76
SCHEMBL1026501 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CCYP3A4TRPA1
SCHEMBL14323001 0.75 CYP3A4 (0.42) CYP3A4TRPA1TSHRMAPK1TDP1
SCHEMBL28631538 0.75 CYP3A4 (0.42) CYP3A4TRPA1TSHRMAPK1TDP1
SCHEMBL31696973 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886645-A Self-repairing modified bio-based coating material with super-strong mechanical property and preparation method thereof 山东农业大学 2024-04-16 CN claimed
EP-4727920-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
US-12421211-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 US disclosed
WO-2024258919-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-19 WO disclosed
US-20240368117-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
CN-118119609-A Imidazole derivatives and their use as antibiotics 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
CN-117886645-A Self-repairing modified bio-based coating material with super-strong mechanical property and preparation method thereof 山东农业大学 2024-04-16 CN disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 US disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 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 (8 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 ADRA2A 2743/4885ADRA2B 2257/4885ADRA2C 1295/4885
US-12421211-B2 Heterocyclic compounds F12, C1R, MRPL21 ADRA2A 2743/4885ADRA2B 2257/4885ADRA2C 1295/4885
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 ADRA2A 1305/4885ADRA2B 1529/4885ADRA2C 701/4885
US-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 ADRA2A 555/4885ADRA2B 594/4885ADRA2C 329/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADRA2A 1206/4885ADRA2B 897/4885ADRA2C 484/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH ADRA2A 2674/4885ADRA2B 2274/4885ADRA2C 1220/4885
US-20240368117-A1 HETEROCYCLIC COMPOUNDS F12, C1R, MRPL21 ADRA2A 2743/4885ADRA2B 2257/4885ADRA2C 1295/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADRA2A 1206/4885ADRA2B 897/4885ADRA2C 484/4885

“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.