SCHEMBL17434370

SCHEMBL17434370

O=C(O)c1cnc2c(c1)c(=O)n(CC1CC1)c(=O)n2CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.41
PDE4A P27815 10/20 0.41
PDE4B Q07343 10/20 0.41
PDE4C Q08493 10/20 0.41
PDE4D Q08499 10/20 0.41
PTGER4 P35408 4/20 0.41
NOTUM Q6P988 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
NPC1 O15118 1/20 0.37
P2RX3 P56373 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17434268 0.83 PDE5A (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434544 0.80 PDE5A (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434110 0.78 EEF2K (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL17434603 0.75 NOTUM (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434081 0.73 EEF2K (0.39) NOTUMPIK3CAMTOR
SCHEMBL16092737 0.70 RORC (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29203442 0.70 KDM4C (0.42) PTGER4MEN1KMT2A
SCHEMBL17434214 0.70 PARG (0.41) NOTUMPIK3CAKDM4EMEN1LMNA
SCHEMBL7145632 0.69 ALDH1A1 (0.60) NOTUMKDM4EMEN1LMNAPOLB
SCHEMBL6529188 0.69 TP53 (0.52) PDE5APDE4APDE4BPDE4CPDE4D

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-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA PDE5A 1774/4885PDE4A 2341/4885PDE4B 1381/4885

“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.