SCHEMBL3971456

SCHEMBL3971456

CC(c1nc2nc[nH]c(=O)c2n1Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
PDE6D O43924 1/20 0.38
KCNH2 Q12809 2/20 0.37
NR4A2 P43354 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
HPGD P15428 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
SCHEMBL4635252 0.80 KCNH2 (0.57) MPOTPOKCNH2NR4A2TP53
SCHEMBL3970572 0.79 KCNH2 (0.42) HTR6MPOTPOKCNH2NR4A2
SCHEMBL9544483 0.74 KCNH2 (0.61) PDE6DKCNH2NR4A2TP53CYP3A4
SCHEMBL4635524 0.73 SSTR5 (0.44) HTR6KCNH2NR4A2TP53ALDH1A1
SCHEMBL3971451 0.72 GAA (0.40) MPOTPOKCNH2ALDH1A1CYP1A2
SCHEMBL31142177 0.64 MPO (0.53) MPOTPOALDH1A1HSD17B10BRDT
SCHEMBL13199900 0.64 PNP (0.48) ALDH1A1MAPK1HPGDTYMSPDE4D
SCHEMBL2967938 0.62 PNP (0.49) TP53ALDH1A1HSD17B10TSHRHPGD
SCHEMBL9696435 0.61 TP53 (0.47) HTR6PDE6DKCNH2NR4A2TP53
SCHEMBL8309312 0.61 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3

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
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP claimed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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 (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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HTR6 1811/4885MPO 723/4885TPO 1071/4885

“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.