Sugi Predict

Sugi Predict / Compounds / SCHEMBL1045523

SCHEMBL1045523

SCHEMBL1045523

O=c1[nH]ccc2c(-c3cccc(F)c3)cnc(Nc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.49
▸ ZAP70 P43403 2/20 0.46
▸ CHEK1 O14757 1/20 0.41
▸ ABCG2 Q9UNQ0 3/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.39
▸ TTBK2 Q6IQ55 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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) JAK2ZAP70MAPK14TTBK1TTBK2
SCHEMBL1048512 0.88 ZAP70 (0.47) JAK2ZAP70MAPK14PIK3C3TTBK1
SCHEMBL1048942 0.88 ZAP70 (0.48) JAK2ZAP70CHEK1ABCG2MAPK14
SCHEMBL27806170 0.88 ZAP70 (0.51) JAK2ZAP70CHEK1ABCG2MAPK14
SCHEMBL1049370 0.87 ZAP70 (0.46) JAK2ZAP70ABCG2PIK3C3TTBK1
SCHEMBL1043269 0.86 RIPK1 (0.46) JAK2ZAP70ABCG2TTBK1IGF1R
SCHEMBL1047107 0.84 LRRK2 (0.47) ZAP70ABCG2GSK3BKDM4EBRD4
SCHEMBL1050006 0.84 BTK (0.56) ZAP70ABCG2MAPK14TTBK1TTBK2
SCHEMBL1049397 0.82 NUDT1 (0.48) JAK2ZAP70CHEK1TTBK1TTBK2
SCHEMBL1048999 0.82 ZAP70 (0.49) JAK2ZAP70TTBK1TTBK2CDC7

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 JAK2 63/4885ZAP70 4/4885CHEK1 900/4885

“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.