SCHEMBL29720442

SCHEMBL29720442

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ DYRK1A Q13627 1/20 0.37
▸ METAP1 P53582 3/20 0.37
▸ METAP2 P50579 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK14 Q16539 4/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ LIMK2 P53671 1/20 0.34

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
SCHEMBL24127726 1.00 NPC1 (0.43) NPC1HPGDSMN1; SMN2LMNACASP3
SCHEMBL24127717 0.88 DYRK1A (0.37) NPC1HPGDSMN1; SMN2LMNACASP3
SCHEMBL29720595 0.88 DYRK1A (0.37) NPC1HPGDSMN1; SMN2LMNACASP3
SCHEMBL29720500 0.84 DYRK1A (0.35) NPC1HPGDRAB9ADYRK1AKDM4E
SCHEMBL24128024 0.84 DYRK1A (0.35) NPC1HPGDRAB9ADYRK1AKDM4E
SCHEMBL24127737 0.76 PDE10A (0.35) HPGDSMN1; SMN2LMNANPSR1KDM4E
SCHEMBL29720471 0.76 TRPM8 (0.36) SMN1; SMN2LMNAMETAP1METAP2NPSR1
SCHEMBL24127708 0.76 TRPM8 (0.36) SMN1; SMN2LMNAMETAP1METAP2NPSR1
SCHEMBL24128070 0.76 KDM4E (0.34) HPGDSMN1; SMN2LMNARAB9AMETAP1
SCHEMBL29720448 0.76 PDE10A (0.35) HPGDSMN1; SMN2LMNANPSR1KDM4E

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 NPC1 4140/4885HPGD 1303/4885SMN1; SMN2 3947/4885

“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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