SCHEMBL1199245

SCHEMBL1199245

Fc1cc(Br)ccc1-c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.38
▸ NMUR2 Q9GZQ4 1/20 0.38
▸ DGAT1 O75907 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ S100A4 P26447 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ KDM1B Q8NB78 1/20 0.34

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
SCHEMBL6220477 0.84 HTT (0.41) ALOX5APFEN1CYP1A2CYP2C19HTT
SCHEMBL5077785 0.79 ALOX5AP (0.47) ALOX5APFEN1CYP1A2CYP2C19HTT
SCHEMBL29674848 0.79 ALOX5AP (0.47) ALOX5APFEN1CYP1A2CYP2C19HTT
SCHEMBL27918769 0.79 KMO (0.44) KDM4E
SCHEMBL16029189 0.79 ALOX5AP (0.38) ALOX5APFEN1CYP1A2CYP2C19HTT
SCHEMBL14520998 0.78 DGAT1 (0.46) ALOX5APFEN1NMUR2DGAT1S100A4
SCHEMBL31310573 0.78 DGAT1 (0.46) ALOX5APFEN1NMUR2DGAT1S100A4
SCHEMBL11996640 0.76 HDAC1 (0.42) KDM1A
SCHEMBL22130294 0.76 KDM1A (0.42) ALOX5APFEN1HTTGAAKDM4E
SCHEMBL31219295 0.76 KDM1A (0.42) ALOX5APFEN1HTTGAAKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 — — EP disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 — — EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
CN-101815711-A Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer SCHERING CORP 2010-08-25 — — CN disclosed
CN-101772501-A Heterocyclic compounds and their use as ERK inhibitors SCHERING CORP 2010-07-07 — — CN disclosed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 — — EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 — — WO disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 — — WO disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 — — EP disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 — — 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 (2 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 ALOX5AP 3866/4885FEN1 4169/4885CYP1A2 694/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 ALOX5AP 4309/4885FEN1 3912/4885CYP1A2 1589/4885

“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.

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