SCHEMBL1049337

SCHEMBL1049337

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCCN(C)C)cc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.62
CDK1 P06493 2/20 0.37
KDR P35968 2/20 0.37
BPTF Q12830 1/20 0.35
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL12928897 0.89 ZAP70 (0.54) ZAP70CDK1KDRBPTFKAT2B
SCHEMBL1045400 0.84 ZAP70 (0.57) ZAP70BPTFKAT2BBRD9
SCHEMBL1047789 0.83 ZAP70 (0.49) ZAP70CDK1KDRBPTFKAT2B
SCHEMBL12929403 0.82 ZAP70 (0.66) ZAP70CDK1KDRSYK
SCHEMBL12928831 0.80 ZAP70 (0.62) ZAP70CDK1KDRBPTFKAT2B
SCHEMBL1045549 0.79 ZAP70 (0.66) ZAP70
SCHEMBL12928801 0.79 ZAP70 (0.59) ZAP70CDK1KDR
SCHEMBL1082786 0.78 ZAP70 (0.66) ZAP70SYK
SCHEMBL3362938 0.78 ZAP70 (0.38) ZAP70CDK1KDRBPTFKAT2B
SCHEMBL1048541 0.78 ZAP70 (0.61) 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 8 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-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 4/4885CDK1 798/4885KDR 18/4885

“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.