SCHEMBL29720595

SCHEMBL29720595

Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)nc(O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KLKB1 P03952 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ METAP2 P50579 2/20 0.32
▸ METAP1 P53582 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALPL P05186 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 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
SCHEMBL24127717 1.00 DYRK1A (0.37) DYRK1AKDM4ETDP1ADORA2AADORA1
SCHEMBL29720442 0.88 NPC1 (0.43) DYRK1AKDM4ETDP1ADORA2AADORA1
SCHEMBL24127726 0.88 NPC1 (0.43) DYRK1AKDM4ETDP1ADORA2AADORA1
SCHEMBL24128140 0.84 DYRK1A (0.35) DYRK1AKDM4ERAB9AHPGDNPC1
SCHEMBL26038290 0.77 HIF1A (0.37) KDM4EALDH1A1KMT2AMETAP1HPGD
SCHEMBL26038294 0.77 SYK (0.33) KDM4ETDP1KMT2AMETAP2METAP1
SCHEMBL26038293 0.77 POLB (0.38) KDM4EALDH1A1KMT2AMETAP1HTT
SCHEMBL24128070 0.76 KDM4E (0.34) KDM4ETDP1ADORA2AADORA1ALDH1A1
SCHEMBL29720528 0.76 KDM4E (0.34) KDM4ETDP1ADORA2AADORA1ALDH1A1
SCHEMBL29720471 0.76 TRPM8 (0.36) KDM4ETDP1KMT2AMETAP2METAP1

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-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
EP-4168414-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2023-04-26 — — EP disclosed
WO-2021257828-A9 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2022-07-21 — — WO 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 DYRK1A 4292/4885KDM4E 3454/4885TDP1 1746/4885

“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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