SCHEMBL1045472

SCHEMBL1045472

O=c1[nH]ccc2cc(-c3ccccc3)nc(Nc3ccc(OC(F)(F)F)cc3)c12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.61
JAK2 O60674 3/20 0.45
JAK1 P23458 2/20 0.45
ABL1 P00519 3/20 0.45
BCR P11274 2/20 0.45
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
CTSC P53634 1/20 0.42
PLK1 P53350 1/20 0.42
DHODH Q02127 1/20 0.41

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 0.90 ZAP70 (0.54) ZAP70JAK2CTSC
SCHEMBL1077210 0.86 ZAP70 (0.49) ZAP70ABL1BCRTTBK1TTBK2
SCHEMBL1045596 0.86 ZAP70 (0.64) ZAP70
SCHEMBL1047757 0.83 ZAP70 (0.51) ZAP70JAK2
SCHEMBL1047338 0.81 ABL1 (0.54) ZAP70JAK2JAK1ABL1BCR
SCHEMBL1045593 0.80 ZAP70 (0.63) ZAP70CTSCDHODH
SCHEMBL1047938 0.80 ZAP70 (0.62) ZAP70JAK2JAK1ABL1TTBK1
SCHEMBL12928808 0.79 ZAP70 (0.62) ZAP70JAK2JAK1ABL1BCR
SCHEMBL1046540 0.78 ZAP70 (0.69) ZAP70JAK1
SCHEMBL3433900 0.77 ZAP70 (0.53) 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 7 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
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 4/4885JAK2 63/4885JAK1 90/4885

“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.