Sugi Predict

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SCHEMBL1049243

SCHEMBL1049243

Cc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCCF)CC4)cc3)n2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 17/20 0.56
▸ IGF1R P08069 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CDK2AP2 O75956 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKACB P22694 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ITK Q08881 1/20 0.37

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
SCHEMBL1049160 0.87 ZAP70 (0.57) ZAP70IGF1RCYP3A4CDK2AP2EGFR
SCHEMBL1048926 0.85 ZAP70 (0.51) ZAP70JAK1
SCHEMBL1047577 0.83 ZAP70 (0.66) ZAP70JAK1
SCHEMBL1047520 0.82 ZAP70 (0.64) ZAP70IGF1RCYP3A4CDK2AP2EGFR
SCHEMBL1044929 0.82 ZAP70 (0.56) ZAP70
SCHEMBL1048046 0.80 ZAP70 (0.54) ZAP70JAK1
SCHEMBL1046952 0.80 ZAP70 (0.54) ZAP70IGF1R
SCHEMBL1049213 0.78 ZAP70 (0.57) ZAP70IGF1R
SCHEMBL1049619 0.78 ZAP70 (0.53) ZAP70JAK1
SCHEMBL1049827 0.78 ZAP70 (0.52) ZAP70IGF1R

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-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
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 4/4885IGF1R 236/4885CYP3A4 4175/4885

“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.