SCHEMBL4523252

SCHEMBL4523252

CCOC(=O)c1c(C)c(C#N)c(N)n1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KDM4E B2RXH2 7/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
ADORA1 P30542 1/20 0.42

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
SCHEMBL4520363 0.87 ALDH1A1 (0.53) HTTKDM4ERXFP1NPSR1MAPK1
SCHEMBL4760669 0.84 HTT (0.44) HTTKDM4ERXFP1NPSR1MAPK1
SCHEMBL4532269 0.82 ALDH1A1 (0.51) HTTKDM4ERXFP1NPSR1MAPK1
SCHEMBL4531554 0.81 ALDH1A1 (0.48) KDM4EMAPK1MEN1KMT2ALMNA
SCHEMBL3259352 0.79 KDM4E (0.56) KDM4ERXFP1NPSR1MAPK1MEN1
SCHEMBL4518839 0.77 SMN1; SMN2 (0.47) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL4564935 0.74 ALDH1A1 (0.70) HTTKDM4ERXFP1NPSR1MAPK1
SCHEMBL28800116 0.72 GABRA2 (0.52) HTTKDM4EMAPK1MEN1KMT2A
SCHEMBL29800446 0.72 GABRA2 (0.52) HTTKDM4EMAPK1MEN1KMT2A
SCHEMBL2680052 0.71 LMNA (0.46) HTTKDM4ERXFP1MAPK1MEN1

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
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
US-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors MERCK PATENT GESELLSCHAFT (DE) 2005-03-17 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-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors PDE5A, PDE3B, PDE4A HTT 4721/4885KDM4E 847/4885RXFP1 162/4885

“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.