SCHEMBL1488487

SCHEMBL1488487

[CH2]NCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.46
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HRH1 P35367 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KCNH3 Q9ULD8 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL7360165 0.80 LOXL2 (0.54) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL22048586 0.78 LOXL2 (0.52) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL14824989 0.76 LOXL2 (0.50) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL408922 0.76 TAAR1 (0.60) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL151822 0.76 LOXL2 (0.68) LOXL2TDP1HRH1ALDH1A1LMNA
SCHEMBL26780043 0.76 LOXL2 (0.45) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL26780012 0.76 LOXL2 (0.45) LOXL2TDP1HDAC2HDAC8HDAC6
SCHEMBL1628058 0.75 — —
SCHEMBL622453 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL4910145 0.74 TAAR1 (0.58) LOXL2TDP1ALDH1A1SMN1; SMN2RAB9A

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 31 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
CN-104892582-B Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2019-09-27 — — 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
EP-1934174-B1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS INC (US) 2011-04-06 — — EP 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
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

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-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 LOXL2 1710/4885TDP1 1707/4885HDAC2 886/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS LOXL2 2964/4885TDP1 1106/4885HDAC2 1190/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS LOXL2 2078/4885TDP1 1038/4885HDAC2 1076/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS LOXL2 1696/4885TDP1 2192/4885HDAC2 434/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 LOXL2 1710/4885TDP1 1707/4885HDAC2 886/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 LOXL2 1710/4885TDP1 1707/4885HDAC2 886/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 LOXL2 1710/4885TDP1 1707/4885HDAC2 886/4885

“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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