SCHEMBL16315856

SCHEMBL16315856

COc1cc2nc(NC(C)(C)C(C)(C)C)nc(-c3cccc(NC(=O)c4ccccc4)c3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.67
▸ PDE4B Q07343 1/20 0.67
▸ PDE4C Q08493 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ MAPK14 Q16539 3/20 0.50
▸ EGFR P00533 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KCNK9 Q9NPC2 2/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ WHR1 P49842 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL296765 0.88 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL13296171 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL1942703 0.82 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL296279 0.82 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL1942916 0.82 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMAPK14
Hydrochloric Acid SCHEMBL296658 0.81 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL6778879 0.81 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL371380 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL297387 0.81 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL1943209 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPK14

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-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 — — US disclosed
US-20080132506-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-06-05 — — US disclosed
US-7342037-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-11 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 — — US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 — — 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 (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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 PDE4A 1042/4885PDE4B 1446/4885PDE4C 1171/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 PDE4A 1042/4885PDE4B 1446/4885PDE4C 1171/4885
US-20080132506-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF PDE4A 788/4885PDE4B 1319/4885PDE4C 1087/4885

“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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