SCHEMBL26038180

SCHEMBL26038180

Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3nccn3C)nc(NCCCCO)c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ IRAK1 P51617 2/20 0.34
▸ PRKCI P41743 4/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SYK P43405 4/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL26038182 0.97 SMN1; SMN2 (0.36) SMN1; SMN2IRAK1PRKCIHPGDKDM4E
SCHEMBL24128050 0.89 CHRM4 (0.33) PRKCIHPGDALDH1A1MAPTHTT
SCHEMBL26038935 0.89 HPGD (0.34) PRKCIHPGD
SCHEMBL24127711 0.87 ALDH1A1 (0.36) PRKCIHPGDKDM4EALDH1A1GLA
SCHEMBL26038939 0.87 HPGD (0.33) PRKCIHPGD
SCHEMBL24128091 0.86 DYRK1A (0.34) PRKCIHPGDDYRK1A
SCHEMBL24634065 0.85 ALDH1A1 (0.33) PRKCIHPGDKDM4EALDH1A1GLA
SCHEMBL26038231 0.84 PRKCI (0.31) PRKCI
SCHEMBL24128082 0.84 PRKCI (0.31) PRKCIKDM4EALDH1A1MAPT
SCHEMBL30481862 0.84 TERT (0.32) PRKCIIRAK4

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 SMN1; SMN2 3947/4885IRAK1 1116/4885PRKCI 587/4885

“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.

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