SCHEMBL1045772

SCHEMBL1045772

Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(OCCN4CCCC4)cc3)n2)c1S(N)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.67
SRC P12931 13/20 0.47
PDGFRB P09619 5/20 0.47
YES1 P07947 4/20 0.46
KDR P35968 4/20 0.46
EPHB4 P54760 4/20 0.46
ABL1 P00519 3/20 0.46
LCK P06239 3/20 0.46
LYN P07948 3/20 0.46
EGFR P00533 2/20 0.46
FYN P06241 2/20 0.46
FGFR1 P11362 2/20 0.46
RPS6KB1 P23443 2/20 0.46
CSK P41240 2/20 0.46
BLK P51451 2/20 0.46
MAP2K1 Q02750 2/20 0.46
TEK Q02763 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL1077213 0.86 ZAP70 (0.52) ZAP70SRCPDGFRBYES1KDR
SCHEMBL1046183 0.84 AXL (0.51) ZAP70SRCPDGFRBYES1KDR
SCHEMBL1049221 0.83 ZAP70 (0.61) ZAP70LYNCYP3A4BRD4JAK2
SCHEMBL1045382 0.82 ZAP70 (0.58) ZAP70SRCEGFRJAK2JAK3
SCHEMBL1046734 0.81 ZAP70 (0.71) ZAP70LYNEGFRBRD4JAK2
SCHEMBL1046388 0.80 ZAP70 (1.00) ZAP70LYNJAK2JAK3FER
SCHEMBL1048183 0.78 ZAP70 (0.69) ZAP70LYNJAK2FERSYK
SCHEMBL1047783 0.75 ZAP70 (0.65) ZAP70LYNCYP3A4JAK2FER
SCHEMBL1048606 0.75 ZAP70 (0.50) ZAP70JAK2SYK
SCHEMBL1049619 0.74 ZAP70 (0.53) ZAP70SRCBRD4JAK2JAK3

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 6 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

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 4/4885SRC 31/4885PDGFRB 49/4885

“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.