SCHEMBL31189697

SCHEMBL31189697

CCOC(=O)c1[nH]cc(-c2ccn(C)n2)c1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 4/20 0.49
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4D Q08499 3/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDE4B Q07343 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL26135924 0.88 JMJD6 (0.50) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL26135059 0.82 JMJD6 (0.51) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL26134825 0.79 JMJD6 (0.48) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL30590606 0.79 JMJD6 (0.48) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL30590637 0.73 JMJD6 (0.51) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL26134837 0.73 JMJD6 (0.41) JMJD6HPGDALDH1A1ALOX15HSD17B10
SCHEMBL26643058 0.73 JMJD6 (0.56) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL31454197 0.73 JMJD6 (0.53) JMJD6NPC1MAPK1RAB9AHPGD
SCHEMBL31189553 0.72 GRM1 (0.40) JMJD6MAPK1HPGDALDH1A1ALOX15
SCHEMBL31555653 0.72 JMJD6 (0.40) JMJD6HPGDALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY THERAPEUTICS, LLC (US) 2025-11-04 US disclosed
CN-119365460-A Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases 尚医治疗有限责任公司 2025-01-24 CN disclosed
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2024-10-31 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-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease KRAS, HRAS, NRAS JMJD6 3750/4885NPC1 2234/4885MAPK1 289/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS JMJD6 3750/4885NPC1 2234/4885MAPK1 289/4885

“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.