SCHEMBL5259187

SCHEMBL5259187

Clc1ncc(Br)c(NCCC2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GBA1 P04062 1/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
MEN1 O00255 1/20 0.38
JAK3 P52333 2/20 0.36
CA2 P00918 1/20 0.36
STK17B O94768 2/20 0.36
STK17A Q9UEE5 2/20 0.36
YTHDC1 Q96MU7 1/20 0.36
AXL P30530 1/20 0.36
PDPK1 O15530 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
OPRL1 P41146 2/20 0.34
GSK3B P49841 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17075042 0.86 MEN1 (0.39) KMT2AJAK1MEN1JAK3STK17B
SCHEMBL13649042 0.86 KMT2A (0.44) KMT2AGBA1JAK2JAK1MEN1
SCHEMBL4071077 0.84 KMT2A (0.42) KMT2AGBA1JAK2JAK1MEN1
SCHEMBL5256754 0.80 CTSS (0.44) GBA1JAK2JAK1
SCHEMBL5260320 0.78 CTSS (0.43) GBA1JAK2JAK1
SCHEMBL22261067 0.78 JAK3 (0.57) KMT2AJAK2JAK1JAK3
SCHEMBL1937339 0.78 PTGER4 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL1937069 0.78 STK17A (0.47) KMT2ASTK17BSTK17AOPRL1ALDH1A1
SCHEMBL13649053 0.77 CAMK2D (0.44) ALDH1A1KDM1A
SCHEMBL22261162 0.76 JAK3 (0.57) JAK2JAK1JAK3STK17BSTK17A

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 KMT2A 3122/4885GBA1 2949/4885JAK2 410/4885

“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.