SCHEMBL5256754

SCHEMBL5256754

N#Cc1ncc(Br)c(NCCC2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.44
CTSK P43235 8/20 0.44
CTSL P07711 7/20 0.42
KCNH2 Q12809 1/20 0.42
GBA1 P04062 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL5260320 0.99 CTSS (0.43) CTSSCTSKCTSLKCNH2GBA1
SCHEMBL5259187 0.80 KMT2A (0.43) GBA1JAK2JAK1
SCHEMBL3453193 0.77 CTSK (0.54) CTSSCTSKCTSL
SCHEMBL5255861 0.76 CDK1 (0.39) CTSSCTSKCTSLLRRK2
SCHEMBL5256570 0.76 CTSS (0.51) CTSSCTSKCTSLKCNH2
SCHEMBL3450564 0.75 CTSK (0.51) CTSSCTSKCTSL
SCHEMBL3451474 0.72 CTSS (0.50) CTSSCTSKCTSLKCNH2
SCHEMBL5258665 0.72 CTSS (0.41) CTSSCTSKCTSLKCNH2PRKCQ
SCHEMBL4129300 0.70 CTSK (0.46) CTSSCTSKCTSLKCNH2LRRK2
SCHEMBL31480308 0.68 CDK1 (0.36) CTSSCTSKCTSLLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100562319-C 2-cyanopyrrole and pyrimidine and its pharmaceutical use NOVARTIS AG (CH) 2009-11-25 CN disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 US disclosed
CN-1756553-A 2-cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-04-05 CN disclosed
EP-1592426-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2005-11-09 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO 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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 CTSS 2927/4885CTSK 3440/4885CTSL 3093/4885

“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.