SCHEMBL1045697

SCHEMBL1045697

C[C@@H]1CN(c2ccc(Nc3nccc4cc[nH]c(=O)c34)cc2F)CCO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.60
SMO Q99835 1/20 0.40
AKT1 P31749 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MAPT P10636 2/20 0.37
GSK3B P49841 2/20 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
SCHEMBL1048878 0.86 ZAP70 (0.51) ZAP70BTKJAK2JAK1
SCHEMBL1047888 0.84 ZAP70 (0.73) ZAP70
SCHEMBL1050217 0.84 ZAP70 (0.73) ZAP70
SCHEMBL1049846 0.83 ZAP70 (0.75) ZAP70
SCHEMBL1046836 0.83 ZAP70 (0.61) ZAP70ATRATRIPJAK2JAK1
SCHEMBL1048082 0.83 ZAP70 (0.72) ZAP70
SCHEMBL1047795 0.83 ZAP70 (0.65) ZAP70JAK2JAK1
SCHEMBL1048605 0.82 ZAP70 (0.70) ZAP70
SCHEMBL1046728 0.82 ZAP70 (0.56) ZAP70AKT1JAK2JAK1
SCHEMBL1049067 0.81 ZAP70 (0.60) 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 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
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
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 4/4885SMO 1392/4885AKT1 126/4885

“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.