SCHEMBL1045774

SCHEMBL1045774

NCCNc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.75
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
JAK2 O60674 4/20 0.43
SYK P43405 2/20 0.42
MAPKAPK5 Q8IW41 1/20 0.41
CHEK1 O14757 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
SCHEMBL1045093 0.90 ZAP70 (0.72) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048081 0.90 ZAP70 (0.61) ZAP70
SCHEMBL12928816 0.89 ZAP70 (0.60) ZAP70SYK
SCHEMBL3356864 0.89 ZAP70 (0.78) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1047738 0.86 ZAP70 (1.00) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1057452 0.85 ZAP70 (0.56) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1046558 0.84 ZAP70 (0.57) ZAP70JAK2SYK
SCHEMBL1047780 0.83 ZAP70 (0.54) ZAP70
SCHEMBL1048459 0.83 ZAP70 (1.00) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL12874284 0.81 ZAP70 (0.65) ZAP70TTBK1TTBK2JAK2SYK

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 4/4885TTBK1 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.