SCHEMBL19699048

SCHEMBL19699048

CC1=C(C)N=C(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N3CC[C@H]2C3)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SMPD3 Q9NY59 1/20 0.35
▸ KIT P10721 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ GLS O94925 2/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34

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
SCHEMBL17618473 0.84 GLS (0.39) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618472 0.83 IRAK4 (0.42) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618478 0.83 IRAK4 (0.42) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618450 0.82 PDE4A (0.43) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618467 0.82 ABL1 (0.47) PDE4APDE4BPDE4DABL1NPC1
SCHEMBL17618474 0.81 ABL1 (0.42) PDE4APDE4BPDE4DUSP30ABL1
SCHEMBL17618471 0.81 MPL (0.45) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL19669044 0.81 GSK3B (0.42) PDE4APDE4BPDE4DUSP30ABL1
SCHEMBL17618470 0.81 ABL1 (0.42) PDE4APDE4BPDE4DABL1FYN
SCHEMBL17618440 0.81 ABL1 (0.40) IRAK4PDE4APDE4BPDE4DUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 2599/4885PDE4A 2267/4885PDE4B 1927/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IRAK4 2599/4885PDE4A 2267/4885PDE4B 1927/4885

“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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