SCHEMBL1488352

SCHEMBL1488352

[CH2]NC1CCCN(CC)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CAMK2D Q13557 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NLRP3 Q96P20 4/20 0.34
IL1B P01584 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL10271865 0.82 GAA (0.41) GAAKDM4EDRD2DRD3NLRP3
SCHEMBL23133624 0.82 GAA (0.41) GAAKDM4EDRD2DRD3NLRP3
SCHEMBL1488354 0.82 GAA (0.41) GAAKDM4EDRD2DRD3NLRP3
SCHEMBL12464589 0.80 GAA (0.40) GAAKDM4EDRD2DRD3NLRP3
Hydrochloric Acid SCHEMBL28253888 0.80 GAA (0.40) GAACAMK2DKDM4EDRD2DRD3
SCHEMBL14903601 0.78 KDM4E (0.40) GAACAMK2DKDM4EDRD2DRD3
SCHEMBL23750443 0.78 KDM4E (0.40) GAACAMK2DKDM4EDRD2DRD3
SCHEMBL23750423 0.78 KDM4E (0.40) GAACAMK2DKDM4EDRD2DRD3
SCHEMBL12395719 0.77 GAA (0.39) GAACAMK2DKDM4EDRD2DRD3
SCHEMBL12337633 0.76 GAA (0.37) GAAKDM4E

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 24 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
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
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
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
CN-105106199-A Methods of using MEK inhibitors EXELIXIS INC 2015-12-02 CN disclosed
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use EXELIXIS INC (US) 2015-05-21 US disclosed
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2014-09-18 US disclosed
CN-103524392-A Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC 2014-01-22 CN 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 (10 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 GAA 1549/4885CAMK2D 1764/4885KDM4E 1286/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 GAA 1407/4885CAMK2D 1826/4885KDM4E 1252/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 GAA 1549/4885CAMK2D 1764/4885KDM4E 1286/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS GAA 2446/4885CAMK2D 2744/4885KDM4E 661/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS GAA 1845/4885CAMK2D 2692/4885KDM4E 913/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS GAA 2414/4885CAMK2D 2054/4885KDM4E 592/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 GAA 1407/4885CAMK2D 1826/4885KDM4E 1252/4885
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS GAA 607/4885CAMK2D 3937/4885KDM4E 760/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 GAA 1407/4885CAMK2D 1826/4885KDM4E 1252/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 GAA 1407/4885CAMK2D 1826/4885KDM4E 1252/4885

“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.