SCHEMBL6530457

SCHEMBL6530457

O=C(c1ccc(F)cc1C(F)(F)F)N1CCOc2cc(Oc3ccnc4[nH]c(=O)c5ccccc5c34)ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
CHEK2 O96017 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
FLT4 P35916 1/20 0.49
ABL2 P42684 1/20 0.49
BLK P51451 1/20 0.49
LIMK1 P53667 1/20 0.49
AURKB Q96GD4 1/20 0.49
KDR P35968 18/20 0.47
LCK P06239 15/20 0.47
MET P08581 14/20 0.47
TEK Q02763 10/20 0.47

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
SCHEMBL6516115 0.85 AURKA (0.53) AURKAKDRLCKMETTEK
SCHEMBL6523412 0.84 AURKA (0.81) AURKAKDRLCKMETTEK
SCHEMBL12846361 0.81 KDR (0.54) AURKAKDRLCKMETTEK
SCHEMBL6524050 0.81 KDR (0.64) KDRLCKMETTEK
SCHEMBL12846655 0.79 KDR (0.65) AURKAKDRLCKMETTEK
SCHEMBL12846623 0.77 KDR (0.66) AURKAKDRLCKMETTEK
SCHEMBL2483645 0.73 AURKA (1.00) AURKAKDRLCKMETTEK
SCHEMBL6521485 0.70 AURKA (0.71) AURKACHEK2RETFLT4LIMK1
SCHEMBL6525321 0.70 AURKA (0.53) AURKACHEK2CSF1RRETFLT4
SCHEMBL12786890 0.70 AURKA (0.52) AURKACHEK2CSF1RRETFLT4

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
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885CHEK2 199/4885CSF1R 3635/4885

“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.