SCHEMBL17439559

SCHEMBL17439559

CSc1nn(-c2ncc(-c3ccccc3)cn2)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 8/20 0.47
CNR2 P34972 1/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
CRBN Q96SW2 1/20 0.42
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KIT P10721 1/20 0.40
KMT2A Q03164 2/20 0.40
HPGDS O60760 1/20 0.40
MEN1 O00255 1/20 0.40
PIK3CA P42336 1/20 0.40
GBA1 P04062 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
SCHEMBL17447170 0.90 PDE4B (0.42) KHKCNR2
SCHEMBL17439549 0.85 KHK (0.61) KHK
SCHEMBL17439506 0.85 KHK (0.49) KHK
SCHEMBL17439501 0.81 KHK (0.49) KHK
SCHEMBL17439616 0.79 KHK (0.46) KHK
SCHEMBL17447239 0.78 PDE4B (0.42) CNR2GPR119
SCHEMBL17447169 0.75 PDE4B (0.42) CNR2
SCHEMBL2549633 0.75 KHK (0.68) KHK
SCHEMBL17447237 0.75 KHK (0.54) KHK
SCHEMBL17447167 0.75 PDE4B (0.57) KHK

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
CN-106660996-B 2, 5-substituted pyrimidines as PDE4 inhibitors 格吕伦塔尔有限公司 2020-10-16 CN 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-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

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 KHK 1537/4885CNR2 1478/4885CKS1B 1145/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 KHK 1537/4885CNR2 1478/4885CKS1B 1145/4885
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 KHK 1526/4885CNR2 1492/4885CKS1B 937/4885

“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.