SCHEMBL4332600

SCHEMBL4332600

COC(=O)c1c(N)c(C#N)c(C2CC2)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
DRD2 P14416 4/20 0.35
EPHX1 P07099 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KCNA3 P22001 1/20 0.33
CACNA1H O95180 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CTSK P43235 3/20 0.31
GFER P55789 1/20 0.31
CTSS P25774 1/20 0.31
MAPKAPK2 P49137 1/20 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
SCHEMBL3936552 0.78 ALDH1A1 (0.45) ALDH1A1DRD2CTSKCTSS
SCHEMBL3936282 0.76 ADORA2A (0.43) ALDH1A1DRD2CTSKCTSS
SCHEMBL3945249 0.76 ALDH1A1 (0.39) ALDH1A1DRD2
SCHEMBL3944905 0.75 ALDH1A1 (0.38) ALDH1A1DRD2CTSKCTSS
SCHEMBL3936530 0.75 ALDH1A1 (0.38) ALDH1A1DRD2CTSKCTSS
SCHEMBL3936237 0.74 ALDH1A1 (0.35) ALDH1A1DRD2PRMT5WDR77
SCHEMBL13783644 0.72 JAK2 (0.42) JAK2JAK1PRMT5WDR77CCNT1
SCHEMBL3943323 0.71 ADORA2A (0.44) ALDH1A1DRD2
SCHEMBL4558328 0.66 JAK2 (0.44) ALDH1A1DRD2JAK2JAK1CCNT1
SCHEMBL27676184 0.66 DRD2 (0.35) ALDH1A1DRD2PRMT5WDR77CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 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 (2 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2955/4885DRD2 956/4885EPHX1 2368/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2940/4885DRD2 932/4885EPHX1 2466/4885

“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.