SCHEMBL21740949

SCHEMBL21740949

O=c1[nH]c(-c2ccccn2)nc2c(C3O[C@H](CO)[C@@H](O)[C@H]3O)csc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.49
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC5A2 P31639 1/20 0.40
PYGL P06737 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL20665656 1.00 KRAS (0.49) KRASNPC1ALDH1A1LMNARAB9A
SCHEMBL21776411 0.86 KRAS (0.51) KRASNPC1ALDH1A1LMNARAB9A
SCHEMBL21900799 0.82 KRAS (0.46) KRASNPC1ALDH1A1LMNARAB9A
SCHEMBL20665700 0.82 KRAS (0.46) KRASNPC1ALDH1A1LMNARAB9A
SCHEMBL20665210 0.80 PYGL (0.43) SLC5A2PYGLHIF1A
SCHEMBL3309836 0.79 PNP (0.53) MAPTPYGLHIF1A
SCHEMBL3309845 0.79 PNP (0.53) MAPTPYGLHIF1A
SCHEMBL3300575 0.74 PNP (0.52) PYGLHIF1A
SCHEMBL3300582 0.74 PNP (0.52) PYGLHIF1A
Hydrochloric Acid SCHEMBL10813379 0.73 PNP (0.51) HIF1A

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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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 (3 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KRAS 2/4885NPC1 2606/4885ALDH1A1 3448/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KRAS 2/4885NPC1 2606/4885ALDH1A1 3448/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS KRAS 2/4885NPC1 2606/4885ALDH1A1 3448/4885

“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.