SCHEMBL1488068

SCHEMBL1488068

[CH2]NCCc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
IDO1 P14902 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42

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
SCHEMBL12342297 0.78 CHRM2 (0.54) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL680368 0.78 TAAR1 (0.64) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL11573822 0.77 CA12 (0.49) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL7521617 0.76 GFER (0.59) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL30183425 0.76 NPC1 (0.50) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL23572283 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL17919346 0.76 TAAR1 (0.50) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
Hydrochloric Acid SCHEMBL1026061 0.76 TAAR1 (0.61) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL6114221 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2A6TAAR1MEN1
SCHEMBL19961109 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2A6TAAR1MEN1

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 30 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-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
CN-109053523-A Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2018-12-21 CN disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
CN-103524392-B As for treating the azetidine of the MEK inhibitor of proliferative disease 埃克塞利希斯股份有限公司 2018-06-01 CN disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-7915250-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2011-03-29 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
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 (7 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 1208/4885CYP1A2 1259/4885CYP2A6 1124/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS ALDH1A1 203/4885CYP1A2 435/4885CYP2A6 814/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS ALDH1A1 182/4885CYP1A2 522/4885CYP2A6 735/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALDH1A1 1438/4885CYP1A2 2368/4885CYP2A6 1814/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885CYP1A2 1175/4885CYP2A6 1081/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885CYP1A2 1175/4885CYP2A6 1081/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885CYP1A2 1175/4885CYP2A6 1081/4885

“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.