SCHEMBL17447158

SCHEMBL17447158

O=C(c1ccc2c(I)nn(-c3ncc(-c4ccccc4F)cn3)c2c1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.57
GRIN2B Q13224 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
HPGD P15428 2/20 0.44
RIPK1 Q13546 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17439511 0.89 PDE4B (0.59) PDE4BGRIN2BALOX5APFEN1
SCHEMBL28478995 0.89 PDE4B (0.56) PDE4BGRIN2BALOX5APFEN1HPGD
SCHEMBL17439586 0.88 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439622 0.88 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439589 0.87 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17447167 0.87 PDE4B (0.57) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439521 0.87 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17447181 0.87 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439537 0.86 PDE4B (0.56) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439532 0.86 PDE4B (0.56) PDE4BGRIN2BALOX5APFEN1HPGD

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
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

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 1/4885GRIN2B 4045/4885ALOX5AP 1305/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885GRIN2B 4045/4885ALOX5AP 1305/4885
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 1/4885GRIN2B 4684/4885ALOX5AP 704/4885

“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.