SCHEMBL1488094

SCHEMBL1488094

[CH2]Nc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
TRPC3 Q13507 1/20 0.57
TRPC4 Q9UBN4 1/20 0.57
TRPC5 Q9UL62 1/20 0.57
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 7/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 1/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.54
ALOX15 P16050 2/20 0.54
HPGD P15428 1/20 0.54
PKM P14618 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ABCB11 O95342 1/20 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
SCHEMBL28050241 0.83 RAB9A (0.68) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL28728369 0.81 RAB9A (0.66) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL29502497 0.79 LMNA (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL29647608 0.79 CYP3A4 (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL19538202 0.79 RAB9A (0.56) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL2016737 0.79 LMNA (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL14380967 0.79 CYP3A4 (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL1800355 0.79 CYP3A4 (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL4424794 0.79 RAB9A (0.65) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL12472842 0.79 BCHE (0.71) BCHETRPC3TRPC4TRPC5SMN1; SMN2

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 36 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
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
EP-0888344-A1 SPIROCYCLE INTEGRIN INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-07 EP disclosed
US-5760029-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 US disclosed
WO-1997033887-A1 SPIROCYCLE INTEGRIN INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-09-18 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 (6 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 BCHE 2995/4885TRPC3 3710/4885TRPC4 4320/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS BCHE 2972/4885TRPC3 4361/4885TRPC4 4680/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS BCHE 4150/4885TRPC3 2880/4885TRPC4 4188/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 BCHE 2995/4885TRPC3 3710/4885TRPC4 4320/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 BCHE 2995/4885TRPC3 3710/4885TRPC4 4320/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 BCHE 2995/4885TRPC3 3710/4885TRPC4 4320/4885

“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.