SCHEMBL31189413

SCHEMBL31189413

CCOC(=O)c1[nH]cc(-c2ccn(CCN=[N+]=[N-])n2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.32
GRM1 Q13255 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31

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 0.81 JMJD6 (0.50) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31555653 0.79 JMJD6 (0.40) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30590705 0.79 JMJD6 (0.39) JMJD6ALDH1A1HPGDHSD17B10THRB
SCHEMBL31555591 0.74 JMJD6 (0.44) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31189553 0.73 GRM1 (0.40) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31189697 0.71 JMJD6 (0.49) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31454236 0.69 THRB (0.38) JMJD6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30590601 0.69 HPGD (0.40) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL26135059 0.66 JMJD6 (0.51) JMJD6ALDH1A1HPGDKDM4ERAB9A
SCHEMBL16115990 0.65 CCNC (0.65) ALDH1A1HPGDALOX15HSD17B10IMPDH2

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 3750/4885ALDH1A1 2587/4885HPGD 2000/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS JMJD6 3750/4885ALDH1A1 2587/4885HPGD 2000/4885

“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.