SCHEMBL6521162

SCHEMBL6521162

COc1cccc(Nc2ccc3c(=O)[nH]c4ncccc4c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 3/20 0.55
PARP1 P09874 1/20 0.52
MAPK1 P28482 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
ERBB2 P04626 1/20 0.47
PTK6 Q13882 1/20 0.47
GRM4 Q14833 1/20 0.47
POLB P06746 1/20 0.47
EGFR P00533 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
PARP14 Q460N5 1/20 0.46
PDE9A O76083 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CLK4 Q9HAZ1 2/20 0.44
DYRK3 O43781 1/20 0.44

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
SCHEMBL6519154 0.90 AURKA (0.55) AURKAMAPTPARP1PKMHTT
SCHEMBL3454045 0.84 AURKA (0.54) AURKAMEN1KMT2APARP1PKM
SCHEMBL6527204 0.84 AURKA (0.56) AURKAMEN1KMT2AMAPTPARP1
SCHEMBL6517435 0.83 AURKA (0.67) AURKAMAPTPARP1LIMK1TNK2
SCHEMBL6517544 0.83 FGFR1 (0.51) AURKAMEN1KMT2AMAPTPARP1
SCHEMBL6525637 0.82 ALDH1A1 (0.57) MEN1KMT2AMAPTMAPK1PKM
SCHEMBL6523440 0.82 AURKA (0.55) AURKAMEN1KMT2AMAPTPARP1
SCHEMBL6525364 0.81 AURKA (0.56) AURKAMAPTPARP1GRM4EGFR
SCHEMBL6520992 0.81 AURKA (0.59) AURKAKMT2AMAPTPARP1PARP14
SCHEMBL6520467 0.81 AURKA (0.59) AURKAMEN1KMT2AMAPTPARP1

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-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
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 538/4885MEN1 3455/4885KMT2A 2055/4885

“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.