SCHEMBL1049462

SCHEMBL1049462

O=c1[nH]ccc2cc(-c3ccccn3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.78
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
JAK2 O60674 2/20 0.47
SYK P43405 1/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
CBFB Q13951 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45

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
SCHEMBL1047997 0.88 ZAP70 (0.73) ZAP70JAK2TTBK1TTBK2MAPKAPK5
SCHEMBL1044792 0.87 ZAP70 (1.00) ZAP70CYP1A1CYP1A2CYP1B1JAK2
SCHEMBL1048979 0.87 ZAP70 (0.80) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1158385 0.86 ZAP70 (0.68) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1043375 0.86 ZAP70 (0.79) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1047843 0.86 ZAP70 (0.70) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1048254 0.86 ZAP70 (0.73) ZAP70JAK2SYK
SCHEMBL1046466 0.85 ZAP70 (0.70) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1047212 0.85 ZAP70 (0.72) ZAP70JAK2TTBK1TTBK2
SCHEMBL1157984 0.85 ZAP70 (0.69) ZAP70JAK2TTBK1TTBK2MAPKAPK5

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
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

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 4/4885CYP1A1 2649/4885CYP1A2 3670/4885

“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.