SCHEMBL179293

SCHEMBL179293

COC(=O)c1ccc(C(C)C)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
S1PR4 O95977 1/20 0.48
S1PR3 Q99500 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42
XDH P47989 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL796852 0.88 MAPK1 (0.59) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL13418633 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL3645881 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL28230930 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL3645879 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL7419598 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL29893688 0.85 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL22060648 0.85 MAPK1 (0.60) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL28240714 0.85 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL28240715 0.85 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
EP-3334464-B1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
CN-116917289-A T-type calcium channel antagonists and uses thereof 小利兰·斯坦福大学董事会 2023-10-20 CN disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009046448-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE, INC. (US) 2009-04-09 WO disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (12 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A MAPK1 1902/4885KDM4E 2287/4885L3MBTL1 4857/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPK1 362/4885KDM4E 4349/4885L3MBTL1 4132/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD MAPK1 259/4885KDM4E 4071/4885L3MBTL1 3938/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL MAPK1 284/4885KDM4E 3521/4885L3MBTL1 781/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MAPK1 1952/4885KDM4E 1381/4885L3MBTL1 3830/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK1 50/4885KDM4E 572/4885L3MBTL1 2619/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL MAPK1 284/4885KDM4E 3521/4885L3MBTL1 781/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA MAPK1 217/4885KDM4E 3724/4885L3MBTL1 1714/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPK1 563/4885KDM4E 3805/4885L3MBTL1 2206/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 MAPK1 1183/4885KDM4E 4340/4885L3MBTL1 3585/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPK1 930/4885KDM4E 1566/4885L3MBTL1 1115/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A MAPK1 436/4885KDM4E 4500/4885L3MBTL1 2802/4885

“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.