SCHEMBL3113335

SCHEMBL3113335

CCCCc1cccc(-c2c(Cl)nc(C)nc2NC2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 11/20 0.40
TSHR P16473 11/20 0.40
HSD17B10 Q99714 11/20 0.40
CYP3A4 P08684 10/20 0.40
HPGD P15428 8/20 0.40
ALOX15 P16050 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 3/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3110916 0.92 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3119447 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3110556 0.82 ADORA3 (0.50) KDM4EALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL3123037 0.81 PDE5A (0.48) KDM4EALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL3118460 0.80 GABBR2 (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3121999 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3108180 0.78 GABBR2 (0.41) KDM4EALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL3122459 0.78 TP53 (0.49) KDM4EALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL3121937 0.75 GABBR2 (0.52)
SCHEMBL3113899 0.75 ADORA1 (0.45) KDM4EALDH1A1TSHRHSD17B10CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
CN-101193868-A Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders NOVARTIS AG (CH) 2008-06-04 CN 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 PDE4A 894/4885PDE4B 939/4885PDE4C 1119/4885

“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.