SCHEMBL17447199

SCHEMBL17447199

COC(=O)c1ccc2c(SC)nn(-c3ncc(-c4ccccc4F)cn3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KHK P50053 8/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 8/20 0.40
DGAT2 Q96PD7 1/20 0.39
FGFR1 P11362 1/20 0.36

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
SCHEMBL17447189 0.89 KHK (0.45) KHKPDE4B
SCHEMBL17447180 0.87 NPC1 (0.41) NPC1RAB9APDE4BDGAT2
SCHEMBL17439616 0.87 KHK (0.46) KHKFGFR1
SCHEMBL17447238 0.85 PDE4B (0.40) NPC1RAB9APDE4BDGAT2FGFR1
SCHEMBL17447237 0.82 KHK (0.54) KHKPDE4B
SCHEMBL17447167 0.82 PDE4B (0.57) KHKPDE4B
SCHEMBL17439568 0.82 KHK (0.41) KHKNPC1RAB9AFGFR1
SCHEMBL17447197 0.81 KHK (0.39) KHK
SCHEMBL17447170 0.81 PDE4B (0.42) KHKPDE4B
SCHEMBL17456970 0.78 NPC1 (0.44) NPC1RAB9APDE4BDGAT2FGFR1

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
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

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 1537/4885NPC1 2794/4885RAB9A 3356/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 KHK 1537/4885NPC1 2794/4885RAB9A 3356/4885
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 1526/4885NPC1 4243/4885RAB9A 3966/4885

“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.