SCHEMBL6690870

SCHEMBL6690870

Cc1nc(C(N)=O)c(N)n1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR1 Q9BXC0 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OGFRL1 Q5TC84 2/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 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
SCHEMBL2681871 0.68 CNR2 (0.50) CNR2L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL17604092 0.67 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EMAPTTDP1
SCHEMBL4734637 0.66 CNR2 (0.48) CNR2CDK9CCNT1L3MBTL1HCAR1
SCHEMBL6692541 0.66 TDP1 (0.48) HCAR1ALDH1A1KDM4EMAPTTDP1
SCHEMBL1717307 0.65 HPGD (0.48)
SCHEMBL22039142 0.64 PDE7A (0.44) CDK9HCAR1ALDH1A1DYRK1ADYRK2
SCHEMBL23441842 0.64 CDK9 (0.46) CNR2CDK9CCNT1L3MBTL1HCAR1
SCHEMBL4508313 0.64 HPGD (0.50) ALDH1A1KDM4E
SCHEMBL7026996 0.63 KMT2A (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28417668 0.63 PIM1 (0.36) CNR2CYP3A4GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 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-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 CNR2 2273/4885CDK9 64/4885CCNT1 2128/4885

“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.