SCHEMBL29720493

SCHEMBL29720493

Cc1sc2c(O)nc(-c3ccccn3)nc2c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ MITF O75030 1/20 0.35

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
SCHEMBL24128053 1.00 KDM4E (0.44) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL26158139 0.86 KDM4E (0.46) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL29720684 0.86 KDM4E (0.46) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL24128049 0.86 KDM4E (0.46) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665738 0.85 KDM4E (0.45) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665572 0.82 SMN1; SMN2 (0.44) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665742 0.81 KDM4E (0.45) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665326 0.80 PRKCI (0.45) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665735 0.79 KDM4E (0.44) KDM4ETDP1NPC1RAB9AGLA
SCHEMBL20665245 0.78 MAPK14 (0.45) KDM4ETDP1MAPTKMT2AMETAP2

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 KDM4E 3454/4885TDP1 1746/4885NPC1 4140/4885

“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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