SCHEMBL1047757

SCHEMBL1047757

O=c1[nH]ccc2cc(-c3ccccc3)nc(Nc3ccccc3OC(F)(F)F)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.51
C1R P00736 1/20 0.47
EPHX2 P34913 1/20 0.40
TTK P33981 1/20 0.38
AURKA O14965 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
JAK2 O60674 5/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TNNI3K Q59H18 1/20 0.35
LYN P07948 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
KCNH2 Q12809 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
SCHEMBL1043547 0.84 ZAP70 (0.54) ZAP70EPHX2ADORA2AADORA1JAK2
SCHEMBL1045472 0.83 ZAP70 (0.61) ZAP70JAK2
SCHEMBL1045593 0.76 ZAP70 (0.63) ZAP70
SCHEMBL1048355 0.73 ZAP70 (0.54) ZAP70JAK2
SCHEMBL1045596 0.73 ZAP70 (0.64) ZAP70ADORA3
SCHEMBL3433900 0.73 ZAP70 (0.53) ZAP70JAK2TNNI3K
SCHEMBL3359127 0.72 C1R (0.41) C1REPHX2AURKAJAK2POLB
SCHEMBL27826692 0.72 ZAP70 (0.42) ZAP70JAK2LYNSYK
SCHEMBL1048594 0.72 ZAP70 (0.59) ZAP70AURKAJAK2
SCHEMBL12960742 0.72 ZAP70 (0.56) ZAP70JAK2

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 12 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885C1R 2939/4885EPHX2 3641/4885

“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.