SCHEMBL1048443

SCHEMBL1048443

O=c1[nH]ccc2c(-c3cnn(C4CCNCC4)c3)cnc(Nc3ccc(F)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.53
ALK Q9UM73 3/20 0.51
GSK3B P49841 2/20 0.47
DYRK1A Q13627 2/20 0.47
AXL P30530 2/20 0.46
TYRO3 Q06418 2/20 0.46
MAP4K3 Q8IVH8 3/20 0.46
MET P08581 4/20 0.45
GRK2 P25098 2/20 0.45
GRK5 P34947 2/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
MERTK Q12866 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
CYP3A7 P24462 2/20 0.42
CYP2C19 P33261 2/20 0.42
PDK4 Q16654 2/20 0.42

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
SCHEMBL1046603 0.91 ZAP70 (0.53) ZAP70ALKAXLTYRO3MAP4K3
SCHEMBL1046496 0.87 ZAP70 (0.73) ZAP70ALKMETGRK2GRK5
SCHEMBL1049582 0.83 ZAP70 (0.73) ZAP70ALKAXLTYRO3MERTK
SCHEMBL27806170 0.77 ZAP70 (0.51) ZAP70GSK3BEGFRCYP1A2CYP3A4
SCHEMBL1048942 0.75 ZAP70 (0.48) ZAP70
SCHEMBL27806044 0.75 ALK (0.46) ALKGSK3BDYRK1AAXLTYRO3
SCHEMBL1048531 0.73 CLK4 (0.53) ZAP70AXLTYRO3METERBB4
SCHEMBL1045612 0.73 ZAP70 (0.73) ZAP70ALKAXLTYRO3MET
SCHEMBL31514601 0.71 ALK (0.74) ALKGSK3BDYRK1AEGFRERBB2
SCHEMBL1048193 0.70 ZAP70 (0.60) ZAP70ALKEGFRERBB2ERBB4

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 4/4885ALK 9/4885GSK3B 370/4885

“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.