SCHEMBL17439508

SCHEMBL17439508

C[S+]([O-])c1nn(-c2ncc(-c3cc(C#N)ccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.49
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
ALK Q9UM73 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
EIF4E P06730 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CDK1 P06493 2/20 0.37
FASN P49327 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
JAK2 O60674 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
SCHEMBL17439608 0.89 PDE4B (0.45) PDE4BJAK2
SCHEMBL17439589 0.88 PDE4B (0.55) PDE4B
SCHEMBL17439514 0.87 PDE4B (0.47) PDE4B
SCHEMBL17439554 0.87 PDE4B (0.43) PDE4BJAK2
SCHEMBL17439504 0.87 PDE4B (0.50) PDE4BMKNK1MKNK2ALKSLC6A9
SCHEMBL17439507 0.86 PDE4B (0.50) PDE4BMKNK1MKNK2ALKSLC6A9
SCHEMBL17443603 0.85 PDE4B (0.51) PDE4BMKNK1MKNK2ALKSLC6A9
SCHEMBL17439539 0.82 ALDH1A1 (0.42) PDE4BJAK2
SCHEMBL20594206 0.81 KDM4E (0.40) PDE4BEGLN1
SCHEMBL17439569 0.81 GLA (0.41) JAK2

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 13 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-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
EP-3415510-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP 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-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
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
US-20160016938-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-01-21 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 1/4885MKNK1 4281/4885MKNK2 3905/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885MKNK1 4281/4885MKNK2 3905/4885
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 1/4885MKNK1 4238/4885MKNK2 4167/4885

“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.