SCHEMBL4213552

SCHEMBL4213552

COC(=O)c1cc(CC#N)cc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MRGPRX4 Q96LA9 4/20 0.49
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
GUSB P08236 2/20 0.48
NR4A2 P43354 2/20 0.48
SMPD1 P17405 1/20 0.47
PTPN1 P18031 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL183994 0.86 LMNA (0.70) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL391547 0.86 MEN1 (0.71) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL3132629 0.85 LMNA (0.62) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL731998 0.83 LMNA (0.59) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL5507004 0.83 LMNA (0.53) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL29788280 0.82 LMNA (0.65) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL90412 0.82 LMNA (0.69) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL29475634 0.82 LMNA (0.69) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL3129603 0.82 MEN1 (0.74) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL340311 0.82 LMNA (0.65) LMNAHPGDMEN1KMT2AMRGPRX4

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
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed
CN-101080396-A Quinoxalines as B Raf inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN disclosed
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
CN-101048388-A Quinazolinone derivatives and their use as B-Raf inhibitors ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN 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 (3 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF LMNA 2447/4885HPGD 1530/4885MEN1 1111/4885
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 LMNA 4138/4885HPGD 3441/4885MEN1 486/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF LMNA 787/4885HPGD 1324/4885MEN1 671/4885

“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.