SCHEMBL2018828

SCHEMBL2018828

COC(=O)C1CC(O)CN1c1nc(Nc2cccc(NS(=O)(=O)C(C)(C)C)c2)nc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.50
▸ JAK2 O60674 6/20 0.50
▸ PDPK1 O15530 2/20 0.42
▸ PAK4 O96013 2/20 0.38
▸ JAK1 P23458 2/20 0.37
▸ BRD2 P25440 2/20 0.36
▸ BRD3 Q15059 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36

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
SCHEMBL2018827 1.00 BRD4 (0.50) BRD4JAK2PDPK1PAK4JAK1
SCHEMBL2021185 0.86 BRD4 (0.52) BRD4JAK2PDPK1PAK4JAK1
SCHEMBL2021182 0.86 BRD4 (0.52) BRD4JAK2PDPK1PAK4JAK1
SCHEMBL2017273 0.77 BRD4 (0.54) BRD4JAK2PDPK1PAK4BRD2
SCHEMBL2017271 0.77 BRD4 (0.54) BRD4JAK2PDPK1PAK4BRD2
SCHEMBL2016056 0.74 OPRM1 (0.41) JAK2JAK1OPRM1OPRD1OPRK1
SCHEMBL2016058 0.74 OPRM1 (0.41) JAK2JAK1OPRM1OPRD1OPRK1
SCHEMBL2023548 0.70 PAK4 (0.44) PAK4JAK1
SCHEMBL2023550 0.70 PAK4 (0.44) PAK4JAK1
SCHEMBL4650409 0.64 PTK2 (0.51) BRD4JAK2PDPK1PAK4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 — — US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — 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 (2 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 BRD4 338/4885JAK2 2/4885PDPK1 116/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 BRD4 338/4885JAK2 2/4885PDPK1 116/4885

“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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