SCHEMBL26038293

SCHEMBL26038293

Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)nc(N3CCCC(CO)C3)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PDE10A Q9Y233 4/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ KHK P50053 1/20 0.35
▸ CDK8 P49336 1/20 0.34
▸ SYK P43405 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL26038290 0.89 HIF1A (0.37) KMT2AHIF1AALDH1A1CFTRSYK
SCHEMBL26038200 0.88 SYK (0.37) POLBHTTKMT2AALDH1A1PDE10A
SCHEMBL26038171 0.88 SYK (0.37) POLBHTTKMT2AALDH1A1PDE10A
SCHEMBL26038198 0.88 SYK (0.37) POLBHTTKMT2AALDH1A1PDE10A
SCHEMBL24127737 0.87 PDE10A (0.35) HIF1AALDH1A1PDE10ASYKKDM4E
SCHEMBL29720448 0.87 PDE10A (0.35) HIF1AALDH1A1PDE10ASYKKDM4E
SCHEMBL24128070 0.87 KDM4E (0.34) POLBHTTKMT2AALDH1A1CFTR
SCHEMBL29720528 0.87 KDM4E (0.34) POLBHTTKMT2AALDH1A1CFTR
SCHEMBL26038982 0.86 KDM4E (0.35) POLBHTTKMT2AALDH1A1CFTR
SCHEMBL24127729 0.86 HIF1A (0.33) KMT2AHIF1AALDH1A1CFTRPDE10A

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 POLB 2305/4885HTT 4071/4885KMT2A 3255/4885

“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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