SCHEMBL1049469

SCHEMBL1049469

O=c1[nH]cc(-c2ccccc2Cl)c2ccnc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.59
LRRK2 Q5S007 1/20 0.49
PDE2A O00408 1/20 0.49
ROCK1 Q13464 1/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLK4 O00444 1/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDR P35968 2/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL1047448 0.92 ZAP70 (0.54) ZAP70PDE2AROCK1AURKAAURKB
SCHEMBL1048404 0.91 ZAP70 (0.51) ZAP70LRRK2PDE2AROCK1AURKA
SCHEMBL1049307 0.88 ZAP70 (0.56) ZAP70LRRK2ROCK1MAPTPLK4
SCHEMBL1047617 0.86 ZAP70 (0.54) ZAP70ROCK1KDM4EMAPTSMN1; SMN2
SCHEMBL1048699 0.84 ZAP70 (0.54) ZAP70LRRK2ROCK1KDM4EMAPT
SCHEMBL12929094 0.82 ZAP70 (0.52) ZAP70LRRK2ROCK1KDM4EMEN1
SCHEMBL1049683 0.80 ZAP70 (0.76) ZAP70LRRK2ROCK1TTBK1TTBK2
SCHEMBL1043457 0.80 ZAP70 (0.52) ZAP70ROCK1KDM4EMAPTSMN1; SMN2
SCHEMBL1046783 0.80 KDR (0.54) ZAP70ROCK1KDM4EMAPTMAPK1
SCHEMBL1049198 0.79 ZAP70 (0.49) ZAP70ROCK1MAPTTTBK1TTBK2

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 10 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
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
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 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 (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 ZAP70 4/4885LRRK2 517/4885PDE2A 2181/4885

“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.