SCHEMBL1046783

SCHEMBL1046783

COc1ccc(-c2c[nH]c(=O)c3c(Nc4ccc(N5CCOCC5)cc4)nccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
ABL1 P00519 3/20 0.54
NTRK1 P04629 3/20 0.54
YES1 P07947 3/20 0.54
ZAP70 P43403 4/20 0.54
ROCK1 Q13464 1/20 0.49
SRC P12931 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
PIM1 P11309 2/20 0.45
MAPK1 P28482 2/20 0.45
HIPK1 Q86Z02 2/20 0.45
IL2 P60568 1/20 0.44
MAP4K1 Q92918 1/20 0.44
BRAF P15056 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1049116 0.90 CLK1 (0.58) KDRABL1NTRK1YES1ZAP70
SCHEMBL1047617 0.88 ZAP70 (0.54) KDRZAP70ROCK1SRCMAPT
SCHEMBL1047358 0.88 ZAP70 (0.49) KDRABL1NTRK1YES1ZAP70
SCHEMBL1049307 0.88 ZAP70 (0.56) KDRABL1NTRK1YES1ZAP70
SCHEMBL1043457 0.86 ZAP70 (0.52) ZAP70ROCK1MAPTKDM4EALDH1A1
SCHEMBL1043429 0.85 ROCK1 (0.60) ZAP70ROCK1SRCCLK1MAPT
SCHEMBL1049683 0.84 ZAP70 (0.76) KDRABL1NTRK1YES1ZAP70
SCHEMBL1048699 0.83 ZAP70 (0.54) ZAP70ROCK1MAPK1MAPTKDM4E
SCHEMBL1047996 0.81 ITK (0.54) KDRABL1NTRK1YES1ZAP70
SCHEMBL1047448 0.81 ZAP70 (0.54) ZAP70ROCK1SRCMAPK1MAPT

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
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET KDR 18/4885ABL1 11/4885NTRK1 15/4885

“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.