SCHEMBL1048313

SCHEMBL1048313

Cc1nc(C)c(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.69
CDK2 P24941 5/20 0.55
AURKA O14965 4/20 0.55
CDK4 P11802 4/20 0.55
AURKB Q96GD4 4/20 0.55
CDK1 P06493 3/20 0.45
CDK9 P50750 3/20 0.45
CCNE1 P24864 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CIT O14578 1/20 0.45
CHEK1 O14757 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
RIPK2 O43353 1/20 0.45
BUB1 O43683 1/20 0.45
CCNT1 O60563 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL1049742 0.85 ZAP70 (0.69) ZAP70JAK2SYK
SCHEMBL1047703 0.85 ZAP70 (0.68) ZAP70JAK2SYK
SCHEMBL1046502 0.83 ZAP70 (0.68) ZAP70JAK2SYK
SCHEMBL1158634 0.83 ZAP70 (0.69) ZAP70SYK
SCHEMBL1050282 0.83 ZAP70 (0.69) ZAP70JAK2SYK
SCHEMBL1048523 0.83 ZAP70 (0.76) ZAP70SYK
SCHEMBL1043375 0.83 ZAP70 (0.79) ZAP70JAK2SYK
SCHEMBL1047684 0.83 ZAP70 (0.82) ZAP70JAK2SYK
SCHEMBL1048573 0.82 ZAP70 (0.70) ZAP70SYK
SCHEMBL1049654 0.82 ZAP70 (0.70) 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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
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 4/4885CDK2 758/4885AURKA 843/4885

“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.