Sugi Predict

Sugi Predict / Compounds / SCHEMBL1048836

SCHEMBL1048836

SCHEMBL1048836

COc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN(C)C)c(=O)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.51
▸ PIK3CA P42336 1/20 0.45
▸ USP2 O75604 8/20 0.40
▸ CYP1A2 P05177 8/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ EGFR P00533 3/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CASP1 P29466 4/20 0.38
▸ CASP7 P55210 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ROCK1 Q13464 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
SCHEMBL1048055 0.95 ZAP70 (0.50) ZAP70PIK3CAUSP2CYP1A2CLK4
SCHEMBL1048206 0.93 ZAP70 (0.53) ZAP70PIK3CAHTR2CHTR2AEGFR
SCHEMBL12929909 0.90 ZAP70 (0.50) ZAP70PIK3CAHTR2CHTR2AEGFR
SCHEMBL1046765 0.90 ZAP70 (0.53) ZAP70PIK3CAUSP2CYP1A2CLK4
SCHEMBL1048602 0.88 ZAP70 (0.51) ZAP70PIK3CAUSP2CYP1A2CLK4
SCHEMBL1048795 0.87 ZAP70 (0.52) ZAP70SYK
SCHEMBL1049335 0.86 ZAP70 (0.68) ZAP70PIK3CAUSP2CYP1A2CLK4
SCHEMBL1047322 0.85 ZAP70 (0.51) ZAP70PIK3CACYP1A2EGFRCYP3A4
SCHEMBL3363291 0.83 ZAP70 (0.47) ZAP70PIK3CAUSP2CYP1A2CLK4
SCHEMBL1048280 0.83 ZAP70 (0.54) ZAP70PIK3CAUSP2CYP1A2CLK4

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 4/4885PIK3CA 118/4885USP2 4617/4885

“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.