Sugi Predict

Sugi Predict / Compounds / SCHEMBL1049200

SCHEMBL1049200

SCHEMBL1049200

Cc1cc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)ccc1-c1cnn(C2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 12/20 0.61
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ ERBB4 Q15303 2/20 0.39
▸ AXL P30530 4/20 0.39
▸ TYRO3 Q06418 4/20 0.39
▸ MERTK Q12866 3/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CYP3A43 Q9HB55 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
SCHEMBL1048193 0.89 ZAP70 (0.60) ZAP70EGFRERBB2ERBB4
SCHEMBL1048255 0.88 ZAP70 (0.48) ZAP70JAK2JAK1EGFRERBB2
SCHEMBL1047039 0.87 ZAP70 (0.59) ZAP70
SCHEMBL1048658 0.87 ZAP70 (0.61) ZAP70JAK2JAK1AXLTYRO3
SCHEMBL1049716 0.84 ZAP70 (0.47) ZAP70JAK2
SCHEMBL1047921 0.81 ZAP70 (0.79) ZAP70
SCHEMBL1046500 0.79 ZAP70 (0.57) ZAP70JAK2JAK1EGFR
SCHEMBL1049036 0.79 ZAP70 (0.51) ZAP70JAK2JAK1
SCHEMBL27826746 0.79 ZAP70 (0.50) ZAP70JAK2
SCHEMBL1047028 0.79 ZAP70 (0.55) ZAP70JAK2JAK1

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 11 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
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 4/4885JAK2 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.