SCHEMBL2016058

SCHEMBL2016058

COC(=O)[C@@H]1C[C@H](O)CN1c1nc(Cl)nc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OGFRL1 Q5TC84 1/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ MTOR P42345 1/20 0.37
▸ ATR Q13535 4/20 0.36
▸ ATRIP Q8WXE1 4/20 0.36
▸ JAK3 P52333 5/20 0.35
▸ JAK1 P23458 3/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ CTSS P25774 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
SCHEMBL2016056 1.00 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1SCN9A
SCHEMBL2018827 0.74 BRD4 (0.50) OPRM1OPRD1OPRK1OGFRL1JAK1
SCHEMBL2018828 0.74 BRD4 (0.50) OPRM1OPRD1OPRK1OGFRL1JAK1
SCHEMBL7752203 0.72 ADORA1 (0.47) SCN9ASMN1; SMN2GAAMTORJAK3
SCHEMBL4077312 0.70 ADORA1 (0.47) OGFRL1SMN1; SMN2GAAMTORJAK3
SCHEMBL8355465 0.70 ADORA1 (0.47) OGFRL1SMN1; SMN2GAAMTORJAK3
SCHEMBL2825572 0.70 ADORA1 (0.47) OGFRL1SMN1; SMN2GAAMTORJAK3
SCHEMBL5189246 0.70 ADORA1 (0.47) OGFRL1SMN1; SMN2GAAMTORJAK3
SCHEMBL2016368 0.69 PAK4 (0.39) JAK3JAK1JAK2
SCHEMBL4170101 0.69 ADORA1 (0.44) SCN9ASMN1; SMN2GAAMTORJAK3

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 4 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
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 — — EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 — — 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 (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 OPRM1 3640/4885OPRD1 2119/4885OPRK1 2268/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 OPRM1 3640/4885OPRD1 2119/4885OPRK1 2268/4885

“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.

Send feedback