SCHEMBL1048085

SCHEMBL1048085

O=c1[nH]ccc2cc(CCc3ccccc3)nc(Nc3cccc(N4CCOCC4)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.64
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
PIM1 P11309 1/20 0.48
PLK4 O00444 1/20 0.46
FER P16591 2/20 0.45
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALK Q9UM73 1/20 0.42
MAPK14 Q16539 1/20 0.41
JAK2 O60674 2/20 0.40
SYK P43405 1/20 0.40
JAK1 P23458 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL1048172 0.88 ZAP70 (0.83) ZAP70TTBK1TTBK2PIM1PLK4
SCHEMBL1048705 0.85 ZAP70 (0.84) ZAP70TTBK1TTBK2PIM1FER
SCHEMBL1048379 0.85 ZAP70 (0.60) ZAP70TTBK1TTBK2PIM1FER
SCHEMBL1158484 0.80 ZAP70 (0.79) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1049006 0.79 ZAP70 (0.70) ZAP70TTBK1TTBK2AURKA
SCHEMBL1048459 0.78 ZAP70 (1.00) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1158853 0.78 ZAP70 (0.83) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048050 0.78 ZAP70 (0.62) ZAP70FERJAK2
SCHEMBL1049616 0.77 ZAP70 (0.67) ZAP70TTBK1TTBK2MAPK14JAK2
SCHEMBL1048025 0.77 ZAP70 (0.67) ZAP70TTBK1TTBK2JAK2

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 12 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 ZAP70 4/4885TTBK1 488/4885TTBK2 479/4885

“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.