SCHEMBL1487982

SCHEMBL1487982

CNC(C)(C)CN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCF1 P14598 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL14817919 0.98 TSHR (0.42) ATMTDP1CARM1PRMT6PRMT8
SCHEMBL21673289 0.81 RECQL (0.44) ATMTDP1ALDH1A1LMNA
SCHEMBL372915 0.79 SIGMAR1 (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7897585 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNA
SCHEMBL20940045 0.78 ATM (0.41) ATMTDP1CARM1PRMT6PRMT8
SCHEMBL1487980 0.78 ATM (0.41) ATMTDP1CARM1PRMT6PRMT8
SCHEMBL19766585 0.78 ATM (0.41) ATMTDP1CARM1PRMT6PRMT8
SCHEMBL7522705 0.75 CARM1 (0.41) ATMTDP1CARM1PRMT6PRMT8
SCHEMBL13355895 0.75 CARM1 (0.46) CARM1PRMT6PRMT8ALDH1A1SMN1; SMN2
SCHEMBL11501574 0.73 LMNA (0.36) ATMTDP1CARM1PRMT6PRMT8

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 50 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-7915250-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2011-03-29 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO 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
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
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA ATM 2180/4885TDP1 543/4885CARM1 2718/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ATM 539/4885TDP1 1707/4885CARM1 2555/4885
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ATM 3276/4885TDP1 2648/4885CARM1 3460/4885
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP ATM 498/4885TDP1 1414/4885CARM1 3098/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS ATM 565/4885TDP1 1106/4885CARM1 1940/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS ATM 948/4885TDP1 1038/4885CARM1 2728/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ATM 1077/4885TDP1 370/4885CARM1 3090/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ATM 973/4885TDP1 2192/4885CARM1 1872/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ATM 539/4885TDP1 1707/4885CARM1 2555/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 ATM 539/4885TDP1 1707/4885CARM1 2555/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 ATM 539/4885TDP1 1707/4885CARM1 2555/4885

“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.