SCHEMBL3138154

SCHEMBL3138154

NC(=O)n1nc(-c2ccc(F)cc2)c2c[c]ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
SCN4A P35499 1/20 0.35
PTGER1 P34995 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PARP1 P09874 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL4221224 1.00 RORC (0.36) RORCSCN4APTGER1CA12CA1
SCHEMBL4227465 0.90 PTGER1 (0.37) RORCSCN4APTGER1CA12CA1
SCHEMBL5377483 0.86 CA12 (0.35) RORCPTGER1CA12CA1CA2
SCHEMBL5380438 0.82 MALT1 (0.32) RORCMAPTALDH1A1KDM4EPOLB
SCHEMBL5381637 0.81 HDAC6 (0.32) TP53SMN1; SMN2
SCHEMBL15662904 0.81 RORC (0.32) RORC
SCHEMBL3148317 0.81 PARP10 (0.39) RORCMAPTTP53
SCHEMBL5147474 0.81 RORC (0.55) RORCPTGER1MAPTALDH1A1KDM4E
SCHEMBL5377151 0.80 GRIN1 (0.35) TP53
SCHEMBL5801238 0.79 ALDH1A1 (0.33) PTGER1MAPTALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US claimed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed
JP-2007516173-A 2007-06-21 JP claimed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US claimed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP claimed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO claimed
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-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US 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-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP disclosed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 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 (4 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 RORC 189/4885SCN4A 4331/4885PTGER1 798/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 RORC 356/4885SCN4A 4669/4885PTGER1 1018/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 RORC 2751/4885SCN4A 2143/4885PTGER1 1285/4885
US-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT RORC 431/4885SCN4A 4128/4885PTGER1 539/4885

“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.