SCHEMBL983558

SCHEMBL983558

O=C(O)c1c[nH]c2c(-c3cc(F)c(OC(F)F)cc3OCC3CC3)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.36
PDE4D Q08499 12/20 0.36
PDE4A P27815 9/20 0.36
PDE4C Q08493 9/20 0.36
KDM4C Q9H3R0 2/20 0.36
ABCB11 O95342 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
KMO O15229 1/20 0.34
KDM5A P29375 1/20 0.33

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
SCHEMBL982755 0.89 KDM4C (0.39) PDE4BPDE4DPDE4APDE4CKDM4C
SCHEMBL981908 0.89 JAK3 (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL985069 0.87 KDM4C (0.38) KDM4CCAMKK1CAMKK2KMOKDM5A
SCHEMBL984995 0.87 KDM4C (0.37) KDM4CCAMKK1CAMKK2KMOKDM5A
Hydrochloric Acid SCHEMBL985238 0.85 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL983554 0.85 KDM4C (0.39) PDE4DKDM4CCAMKK1CAMKK2KMO
SCHEMBL985692 0.83 KDM5A (0.44) KDM4CKMOKDM5A
SCHEMBL981991 0.83 DHODH (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL984263 0.82 PDE4D (0.33) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL986385 0.82 BRD4 (0.43) KDM4CKMOKDM5A

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-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PDE4B 7/4885PDE4D 12/4885PDE4A 6/4885

“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.