SCHEMBL681597

SCHEMBL681597

C[C@@H](O)CCCCn1c(=O)c2[nH]cnc2n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.68
▸ PDE4B Q07343 7/20 0.68
▸ PDE4C Q08493 7/20 0.68
▸ PDE4D Q08499 7/20 0.68
▸ ADORA2A P29274 7/20 0.68
▸ CFTR P13569 2/20 0.64
▸ ADORA2B P29275 9/20 0.61
▸ ADORA3 P0DMS8 4/20 0.60
▸ CHIT1 Q13231 1/20 0.60
▸ CHIA Q9BZP6 1/20 0.60
▸ PDE2A O00408 2/20 0.54
▸ PDE1A P54750 2/20 0.54
▸ PDE1B Q01064 2/20 0.54
▸ PDE1C Q14123 2/20 0.54
▸ PDE5A O76074 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA1 P30542 1/20 0.54

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
SCHEMBL6355083 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6349412 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6773798 0.99 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430818 0.96 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430480 0.92 CFTR (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6773562 0.88 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27776316 0.87 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6773962 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27604766 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27604767 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 — — US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 — — US disclosed
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 — — EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 — — US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 — — US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 — — EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 — — 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 (3 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 PDE4A 1788/4885PDE4B 2888/4885PDE4C 2497/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 PDE4A 1352/4885PDE4B 2245/4885PDE4C 1995/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 PDE4A 4128/4885PDE4B 4566/4885PDE4C 3945/4885

“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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