SCHEMBL17439608

SCHEMBL17439608

Cc1ccc(F)c(-c2cnc(-n3nc([S+](C)[O-])c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.45
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD4 O60885 1/20 0.37
JAK2 O60674 1/20 0.37
GRM2 Q14416 1/20 0.37
WDR5 P61964 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
SCHEMBL20594206 0.91 KDM4E (0.40) PDE4BKDM4ERAB9ANPC1MAPT
SCHEMBL17439589 0.90 PDE4B (0.55) PDE4BALOX5APFEN1
SCHEMBL17439554 0.90 PDE4B (0.43) PDE4BARALOX5APFEN1KCNH2
SCHEMBL17439514 0.90 PDE4B (0.47) PDE4BRAB9AHPGDWDR5
SCHEMBL17439508 0.89 PDE4B (0.49) PDE4BJAK2
SCHEMBL17439609 0.86 PDE4B (0.45) PDE4BKDM4ERAB9ANPC1MAPT
SCHEMBL17439623 0.86 HPGD (0.45) PDE4BKDM4ERAB9ANPC1MAPT
SCHEMBL17439601 0.86 ABL1 (0.44) PDE4BKDM4ERAB9ANPC1MAPT
SCHEMBL17439610 0.86 PDE4B (0.46) PDE4BKDM4ERAB9ANPC1MAPT
SCHEMBL17439570 0.85 PDE4B (0.45) PDE4BKDM4ERAB9ANPC1MAPT

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 15 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
EP-3169679-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2017-05-24 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
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
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 1/4885KDM4E 1006/4885RAB9A 3356/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885KDM4E 1006/4885RAB9A 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 PDE4B 1/4885KDM4E 801/4885RAB9A 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.