SCHEMBL26043404

SCHEMBL26043404

Cc1c(-c2ccn(C(C)C)n2)sc(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 9/20 0.41
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
CISD2 Q8N5K1 1/20 0.35
LMNA P02545 2/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
RECQL P46063 2/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 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
SCHEMBL26038672 0.90 GRM6 (0.38) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL26038611 0.86 CISD2 (0.38) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL24127721 0.86 GRM6 (0.54) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL26038613 0.76 DYRK1A (0.35) DYRK1A
SCHEMBL29770888 0.76 GRM6 (0.40) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL7957161 0.69 GRM6 (0.77) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL27461391 0.68 GRM6 (0.60) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL26042238 0.68 GRM6 (0.47) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL14375486 0.67 DYRK1A (0.43) LMNADYRK1AKMT2AMEN1POLB
SCHEMBL27461392 0.66 GRM6 (0.54) GRM6GRM5ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 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 (1 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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS GRM6 4102/4885GRM5 3746/4885ALDH1A1 2378/4885

“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.