SCHEMBL17450855

SCHEMBL17450855

Cc1ccc(F)c(-c2cnc(-n3cc(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
HPGD P15428 1/20 0.40
AR P10275 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
RRM1 P23921 1/20 0.38
RRM2B Q7LG56 1/20 0.38
JAK2 O60674 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM5 P41594 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
SCHEMBL17443624 0.90 PDE4B (0.57) PDE4B
SCHEMBL17467022 0.90 PDE4B (0.45) PDE4BARJAK2GRM2GRM5
SCHEMBL17450888 0.90 PDE4B (0.48) PDE4BHPGDKDM4ERAB9ANPC1
SCHEMBL17450852 0.89 PDE4B (0.45) PDE4BARCHRM2CHRM1RRM1
SCHEMBL17443587 0.89 PDE4B (0.51) PDE4BJAK2
SCHEMBL17443803 0.88 PDE4B (0.48) PDE4BARGRM2
SCHEMBL17443748 0.88 PDE4B (0.47) PDE4BHPGDRAB9ANPC1MAPT
SCHEMBL17450834 0.86 KDM1A (0.46)
SCHEMBL17456903 0.86 KDM1A (0.46)
SCHEMBL17443649 0.86 PDE4B (0.46) PDE4BARCHRM2CHRM1RRM1

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
EP-3415509-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
WO-2016008592-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE 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 (1 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-20160024053-A1 Novel 2,5-Substituted Pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885HPGD 325/4885AR 3360/4885

“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.