SCHEMBL17673889

SCHEMBL17673889

Cn1nc(CCO)c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ ESR1 P03372 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ CHEK1 O14757 2/20 0.32
▸ KMO O15229 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ TKT P29401 1/20 0.31

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
SCHEMBL17673736 0.91 PDGFRA (0.38) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL17673557 0.90 PDGFRA (0.37) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL20520453 0.87 PDGFRA (0.41) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL30258317 0.87 PDGFRA (0.41) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL31068115 0.82 PDGFRA (0.39) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL4507507 0.82 GRM4 (0.43) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL29349067 0.82 PDGFRA (0.39) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL30258108 0.81 PDGFRA (0.38) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL20520398 0.81 PDGFRA (0.38) PDGFRACDK5TYRO3ESR1MAPK8
SCHEMBL17673814 0.79 PDGFRA (0.36) PDGFRACDK5TYRO3MAPK8EGLN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 — — EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 PDGFRA 1791/4885CDK5 2751/4885TYRO3 2385/4885

“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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