SCHEMBL12374018

SCHEMBL12374018

COCCn1cnc(-c2ccc(Br)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
FEN1 P39748 2/20 0.37
DYRK1A Q13627 1/20 0.35
NSD2 O96028 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
KDR P35968 3/20 0.33
EGFR P00533 2/20 0.33
SLC6A4 P31645 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL11996734 0.86 HDAC1 (0.38) ALDH1A1HDAC1HDAC6HDAC4HDAC2
SCHEMBL12374019 0.84 DGAT1 (0.37) DGAT1ALDH1A1HDAC1HDAC6HDAC4
SCHEMBL12374015 0.83 HDAC1 (0.40) DGAT1ALDH1A1HDAC1HDAC6HDAC4
SCHEMBL11994462 0.82 FEN1 (0.38) ALDH1A1HDAC1HDAC6HDAC4HDAC2
SCHEMBL10276697 0.78 DGAT1 (0.59) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL18614369 0.78 HDAC1 (0.47) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL18113495 0.78 DGAT1 (0.39) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL27007674 0.73 ALDH1A1 (0.43) DGAT1ALDH1A1DYRK1ASLC6A4SMN1; SMN2
SCHEMBL12406559 0.69 HDAC1 (0.40) HDAC1HDAC6HDAC4HDAC2HDAC11
SCHEMBL30756133 0.69 HDAC1 (0.40) ALDH1A1HDAC1HDAC6EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 DGAT1 1976/4885ALDH1A1 604/4885HDAC1 230/4885

“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.