SCHEMBL1047746

SCHEMBL1047746

O=c1[nH]ccc2c(-c3ccc(C(F)(F)F)cc3)cnc(Nc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.46
TTBK1 Q5TCY1 3/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 3/20 0.41
PARP1 P09874 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
TTBK2 Q6IQ55 2/20 0.39
AURKB Q96GD4 2/20 0.39
CSF1R P07333 1/20 0.39
EPHX2 P34913 1/20 0.39
AURKA O14965 1/20 0.38
TNKS O95271 1/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GSK3B P49841 1/20 0.38
LRRK2 Q5S007 1/20 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
SCHEMBL1049635 0.89 ZAP70 (0.53) ZAP70TTBK1JAK2JAK1PARP1
SCHEMBL1043269 0.89 RIPK1 (0.46) ZAP70TTBK1JAK2ABCG2AURKB
SCHEMBL1048942 0.88 ZAP70 (0.48) ZAP70TTBK1JAK2ABCG2TTBK2
SCHEMBL1048999 0.86 ZAP70 (0.49) ZAP70TTBK1JAK2JAK1TTBK2
SCHEMBL1043299 0.85 JAK2 (0.49) ZAP70TTBK1JAK2JAK1TTBK2
SCHEMBL27806170 0.83 ZAP70 (0.51) ZAP70TTBK1JAK2JAK1ABCG2
SCHEMBL1049280 0.83 MAPT (0.49) ZAP70TTBK1TTBK2GSK3B
SCHEMBL1048920 0.82 CDC7 (0.53) ZAP70TTBK1JAK2TTBK2AURKB
SCHEMBL1045599 0.81 ZAP70 (0.47) ZAP70TTBK1JAK2TTBK2AURKB
SCHEMBL1045523 0.80 JAK2 (0.49) ZAP70TTBK1JAK2ABCG2TTBK2

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
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
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
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

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 4/4885TTBK1 488/4885JAK2 63/4885

“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.