SCHEMBL1045406

SCHEMBL1045406

O=c1[nH]ccc2c(-c3ccc(N4CCNCC4)nc3)cnc(Nc3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.50
KCNH2 Q12809 2/20 0.43
CACNA1C Q13936 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
MAP3K11 Q16584 1/20 0.41
NTRK1 P04629 3/20 0.41
HIPK2 Q9H2X6 1/20 0.40
PRKD1 Q15139 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
ACVR1 Q04771 1/20 0.39
PADI4 Q9UM07 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
ATR Q13535 1/20 0.37
IL2 P60568 1/20 0.37
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL1048187 0.90 ZAP70 (0.54) ZAP70
SCHEMBL1047715 0.90 ZAP70 (0.63) ZAP70ATR
SCHEMBL1049635 0.80 ZAP70 (0.53) ZAP70HIPK2ACVR1ROCK2
SCHEMBL1045599 0.80 ZAP70 (0.47) ZAP70MAP3K11HIPK2ROCK2
SCHEMBL1048999 0.78 ZAP70 (0.49) ZAP70HIPK2ROCK2
SCHEMBL1048942 0.78 ZAP70 (0.48) ZAP70
SCHEMBL1043299 0.78 JAK2 (0.49) ZAP70
SCHEMBL1049397 0.77 NUDT1 (0.48) ZAP70ACVR1PADI4
SCHEMBL1048920 0.76 CDC7 (0.53) ZAP70HIPK2ROCK2
SCHEMBL1045612 0.76 ZAP70 (0.73) ZAP70

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 ZAP70 4/4885KCNH2 1404/4885CACNA1C 2292/4885

“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.