SCHEMBL2577458

SCHEMBL2577458

O=c1[nH]c(-c2ccc(N3CCOCC3)cc2)cc2nccn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.45
XDH P47989 1/20 0.44
PRKDC P78527 1/20 0.43
MAPKAPK5 Q8IW41 2/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MAP3K11 Q16584 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL2573194 0.78 CCNB2 (0.44) XDH
SCHEMBL2573121 0.72 XDH (0.46) XDH
SCHEMBL2553234 0.72 XDH (0.46) XDHGRIA1
SCHEMBL13503103 0.70 CCNB2 (0.61) TBK1
SCHEMBL2573277 0.70 AHR (0.46) XDH
SCHEMBL13495429 0.70 PIK3CD (0.53) TBK1XDHPIK3CDPIK3CAPIK3CB
SCHEMBL2559053 0.69 CHRM1 (0.41)
SCHEMBL21364620 0.69 PIK3C3 (0.45) XDHPIK3CDPIK3CAPIK3CB
SCHEMBL14954683 0.68 MAPKAPK5 (0.52) XDHMAPKAPK5PDE3BPDE3A
SCHEMBL2574553 0.67 AHR (0.43) XDHMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558468-B1 5, 7-SUBSTITUTED-IMIDAZO [1,2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC (US) 2015-04-01 EP disclosed
US-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
EP-2558468-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES Array Biopharma, Inc. (US) 2013-02-20 EP disclosed
WO-2011130146-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2011-10-20 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-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 TBK1 275/4885XDH 190/4885PRKDC 90/4885

“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.