Sugi Predict

Sugi Predict / Compounds / SCHEMBL31189553

SCHEMBL31189553

SCHEMBL31189553

CCOC(=O)c1[nH]cc(-c2ccn(C3CC3)n2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ JMJD6 Q6NYC1 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ MOGAT2 Q3SYC2 1/20 0.33

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 0.83 JMJD6 (0.50) GRM1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31555653 0.76 JMJD6 (0.40) GRM1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31189417 0.76 JMJD6 (0.37) ALDH1A1HPGDHSD17B10JMJD6KDM4E
SCHEMBL16244534 0.73 CYP1A2 (0.46) ALDH1A1HPGDJMJD6KDM4EGRK6
SCHEMBL31189413 0.73 JMJD6 (0.38) GRM1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30590601 0.73 HPGD (0.40) GRM1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31189697 0.72 JMJD6 (0.49) ALDH1A1HPGDALOX15HSD17B10JMJD6
SCHEMBL20046891 0.72 CYP1A2 (0.42) JMJD6KDM4EGRK6CYP1A2KMT2A
SCHEMBL31555591 0.71 JMJD6 (0.44) ALDH1A1HPGDALOX15HSD17B10JMJD6
SCHEMBL22637340 0.69 CYP1A2 (0.44) ALDH1A1JMJD6KDM4ECYP1A2MAPK1

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 GRM1 4602/4885ALDH1A1 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 GRM1 4602/4885ALDH1A1 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.