SCHEMBL1047715

SCHEMBL1047715

O=c1[nH]ccc2c(-c3ccc(N4CCOCC4)nc3)cnc(Nc3ccccc3)c12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.63
CNR2 P34972 5/20 0.46
ATR Q13535 1/20 0.44
DGAT1 O75907 1/20 0.43
TDO2 P48775 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PDE9A O76083 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
PARP1 P09874 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 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
SCHEMBL1045406 0.90 ZAP70 (0.50) ZAP70ATR
SCHEMBL1048187 0.89 ZAP70 (0.54) ZAP70TDO2BRD4CREBBPJAK2
SCHEMBL1047693 0.83 ZAP70 (0.72) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1049635 0.80 ZAP70 (0.53) ZAP70TTBK1TTBK2PARP1BRD4
SCHEMBL1045599 0.79 ZAP70 (0.47) ZAP70PIK3CGTTBK1TTBK2BRD4
SCHEMBL1046587 0.79 ZAP70 (0.66) ZAP70PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1048645 0.78 ZAP70 (0.71) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048387 0.78 ZAP70 (0.73) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1047380 0.78 ZAP70 (0.75) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048999 0.78 ZAP70 (0.49) ZAP70TTBK1TTBK2BRD4JAK2

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 9 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
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
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 ZAP70 4/4885CNR2 3471/4885ATR 346/4885

“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.