SCHEMBL1047338

SCHEMBL1047338

Cc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)cs1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
ZAP70 P43403 12/20 0.51
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL1045472 0.81 ZAP70 (0.61) ABL1BCRZAP70TTBK1TTBK2
SCHEMBL1048444 0.81 ZAP70 (0.62) ZAP70
SCHEMBL1047953 0.81 ZAP70 (0.78) ZAP70
SCHEMBL1047938 0.80 ZAP70 (0.62) ABL1ZAP70TTBK1TTBK2JAK2
SCHEMBL1049619 0.79 ZAP70 (0.53) ZAP70JAK2JAK1
SCHEMBL1077210 0.78 ZAP70 (0.49) ABL1BCRZAP70TTBK1TTBK2
SCHEMBL1049742 0.78 ZAP70 (0.69) ZAP70TTBK1TTBK2JAK2
SCHEMBL1050269 0.78 ZAP70 (0.46) ZAP70JAK2
SCHEMBL12928808 0.75 ZAP70 (0.62) ABL1BCRZAP70TTBK1TTBK2
SCHEMBL3360196 0.75 ABL1 (0.53) ABL1BCRALOX5

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 10 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
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 ABL1 11/4885BCR 23/4885ZAP70 4/4885

“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.