SCHEMBL4416495

SCHEMBL4416495

O=C(O)n1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
MEN1 O00255 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
UGT1A1 P22309 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL4412925 0.88 PIP4K2A (0.48) EGFRABCG2TSHRHTTLMNA
SCHEMBL4414025 0.86 FLT3 (0.51) EGFRKDRAURKBRETPIP4K2A
SCHEMBL4421383 0.85 RAB9A (0.57) EGFRABCG2HTTLMNAMAPT
SCHEMBL29110515 0.82 EGFR (0.60) EGFRABCG2TSHRHTTLMNA
SCHEMBL4414264 0.82 MAPT (0.57) EGFRTSHRHTTLMNATP53
SCHEMBL4427009 0.82 AURKA (0.58) EGFRABCG2AURKB
SCHEMBL4415185 0.82 LMNA (0.58) EGFRHTTLMNATP53MAPT
SCHEMBL4412294 0.81 PIP4K2A (0.69) EGFRABCG2LMNATP53MAPT
SCHEMBL4412666 0.81 PIP4K2A (0.48) EGFRMAPTALDH1A1SYKAURKB
SCHEMBL4423001 0.81 ALDH1A1 (0.54) EGFRLMNAMAPTMEN1ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
CN-100439365-C Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-12-03 CN claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
CN-1842529-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-10-04 CN claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP disclosed
CN-100439365-C Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-12-03 CN disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
CN-1842529-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-10-04 CN disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX EGFR 251/4885ABCG2 1387/4885TSHR 2941/4885

“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.