SCHEMBL1048871

SCHEMBL1048871

NC1CCCN(c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.66
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
BTK Q06187 2/20 0.42
JAK3 P52333 2/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
LCK P06239 1/20 0.40
SYK P43405 2/20 0.40
JAK2 O60674 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
SCHEMBL12928849 1.00 ZAP70 (0.66) ZAP70TTBK1TTBK2BTKJAK3
SCHEMBL12960815 0.95 ZAP70 (0.68) ZAP70TTBK1TTBK2BTKSYK
SCHEMBL1048182 0.95 ZAP70 (0.68) ZAP70TTBK1TTBK2BTKSYK
SCHEMBL12929034 0.84 ZAP70 (0.70) ZAP70TTBK1TTBK2MAPKAPK5SYK
SCHEMBL1046320 0.84 ZAP70 (0.70) ZAP70TTBK1TTBK2MAPKAPK5SYK
SCHEMBL1046861 0.79 ZAP70 (1.00) ZAP70TTBK1TTBK2SYKJAK2
SCHEMBL6524306 0.79 ZAP70 (0.69) ZAP70TTBK1TTBK2MAPKAPK5SYK
SCHEMBL12928847 0.78 FER (0.65) ZAP70SYKJAK2
SCHEMBL12961008 0.78 FER (0.65) ZAP70SYKJAK2
SCHEMBL12928845 0.78 FER (0.65) ZAP70SYKJAK2

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 13 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
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.