SCHEMBL17447170

SCHEMBL17447170

CSc1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
KHK P50053 4/20 0.42
CNR2 P34972 1/20 0.40
AKT1 P31749 1/20 0.39

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
SCHEMBL17439559 0.90 KHK (0.47) KHKCNR2
SCHEMBL17447239 0.88 PDE4B (0.42) PDE4BCNR2AKT1
SCHEMBL17447237 0.86 KHK (0.54) PDE4BKHK
SCHEMBL17447167 0.86 PDE4B (0.57) PDE4BKHK
SCHEMBL17447169 0.86 PDE4B (0.42) PDE4BCNR2AKT1
SCHEMBL17443792 0.84 PDE4B (0.42) PDE4BCNR2AKT1
SCHEMBL17447189 0.81 KHK (0.45) PDE4BKHK
SCHEMBL17447199 0.81 KHK (0.41) PDE4BKHK
SCHEMBL17439610 0.78 PDE4B (0.46) PDE4BKHK
SCHEMBL17444057 0.77 PDE4B (0.41) PDE4BCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2019-08-27 US disclosed
US-20170065603-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-20170065603-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
WO-2016008590-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-20160016938-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
US-20160016938-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-01-21 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-20170065603-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885KHK 1537/4885CNR2 1478/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885KHK 1537/4885CNR2 1478/4885
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885KHK 1526/4885CNR2 1492/4885

“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.