SCHEMBL1487963

SCHEMBL1487963

[CH2]Nc1cccc(NC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
RAB9A P51151 2/20 0.62
POLB P06746 1/20 0.62
NR4A1 P22736 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL1901172 0.89 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL4714652 0.82 HSD17B10 (0.71) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1487964 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL27962111 0.80 RAB9A (0.68) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL18473169 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL8532903 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL839236 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1303329 0.80 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL21310282 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL6355891 0.79 TGM2 (0.65) ALDH1A1HSD17B10CYP1A2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
CN-105860574-B A kind of highly dissoluble reactive dye and preparation method thereof 南京晓庄学院 2018-03-20 CN disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-7803839-B2 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS, INC. (US) 2010-09-28 US disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS INC. (US) 2009-06-18 US disclosed
CN-101365676-A Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC (US) 2009-02-11 CN disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
EP-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 EP disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 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 (8 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 ALDH1A1 1208/4885HSD17B10 2075/4885CYP1A2 1259/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS ALDH1A1 203/4885HSD17B10 2487/4885CYP1A2 435/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS ALDH1A1 182/4885HSD17B10 2400/4885CYP1A2 522/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALDH1A1 1438/4885HSD17B10 1813/4885CYP1A2 2368/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885

“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.