SCHEMBL18968233

SCHEMBL18968233

CO[C@@H]1CCN(C(=O)c2cc(OC(F)F)c3c(c2)nc(-c2cc4cccnc4n2CC2CC2)n3C)C[C@@H]1N

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.61
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL18968210 1.00 PADI4 (0.61) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969429 0.93 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969426 0.93 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL20121131 0.93 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL20121132 0.93 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL23436056 0.93 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969414 0.91 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18956444 0.91 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL28839537 0.91 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL29850434 0.91 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D

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
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 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 (1 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-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 PADI4 1/4885PDE4A 20/4885PDE4B 25/4885

“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.