SCHEMBL4789875

SCHEMBL4789875

CC1CC(c2ccncn2)=CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 5/20 0.33
MKNK1 Q9BUB5 1/20 0.33
BRAF P15056 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
CDC7 O00311 1/20 0.32
LATS1 O95835 1/20 0.32
MAPK14 Q16539 3/20 0.31
MAPK11 Q15759 2/20 0.31

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
SCHEMBL4790187 0.77 CHRNB2 (0.38) MAPK1CDC7MAPK14MAPK11MAPK13
SCHEMBL4789542 0.69 SIGMAR1 (0.47) CDC7
SCHEMBL5120309 0.69 CYP11B1 (0.48)
SCHEMBL2814353 0.66 HSP90AA1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30595872 0.66 HSP90AA1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL31169267 0.64
SCHEMBL13910999 0.64 HSP90AA1 (0.50) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL4789908 0.63 PTGS1 (0.34)
SCHEMBL8583546 0.63
SCHEMBL578563 0.63 HTR2C (0.50) MAPK1

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-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 CCNT1 1697/4885CCNA2 2814/4885CDK2 791/4885

“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.