SCHEMBL251928

SCHEMBL251928

CC(C)(C)OC(=O)Nc1cn2nc(Cn3nnc4ccc(Br)cc43)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
TTK P33981 1/20 0.33
MAP3K5 Q99683 1/20 0.32
PTGER1 P34995 2/20 0.32
LCK P06239 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CDK9 P50750 1/20 0.32
KDR P35968 2/20 0.31
BCL2 P10415 1/20 0.31
PIK3CA P42336 1/20 0.31
BACE1 P56817 1/20 0.31
CYP2C9 P11712 1/20 0.31
EGFR P00533 1/20 0.31
RAF1 P04049 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31

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
SCHEMBL5953693 0.90 BRD4 (0.39) TTKPTGER1ACSS2GSK3BDYRK1A
SCHEMBL252382 0.86 CSNK1D (0.36) CSNK1DCSNK1EPIK3CARAB9ABRD4
SCHEMBL1550773 0.83 KDR (0.43) CSNK1DCSNK1EKDR
SCHEMBL252919 0.78 MGAM (0.34) CDK9RAB9ABRD4
SCHEMBL252109 0.77 KDM4E (0.46) RAB9AALDH1A1
SCHEMBL253221 0.75 PIK3CG (0.36) DYRK1ACDK9BACE1AURKB
SCHEMBL5955394 0.75 KDR (0.42) CSNK1DCSNK1EKDR
SCHEMBL5954693 0.75 KDR (0.42) CSNK1DCSNK1EKDR
Hydrochloric Acid SCHEMBL251752 0.74 PIK3CG (0.35) CDK9BACE1
SCHEMBL1551274 0.74 KDR (0.45) CSNK1DCSNK1EKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT CSNK1D 225/4885CSNK1E 119/4885TTK 2007/4885

“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.