SCHEMBL2298029

SCHEMBL2298029

Clc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 1.00
L3MBTL1 Q9Y468 1/20 0.70
MAPT P10636 4/20 0.64
RPS6KB1 P23443 1/20 0.64
HTT P42858 8/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
HRH4 Q9H3N8 1/20 0.62
LMNA P02545 4/20 0.61
AKT2 P31751 3/20 0.61
ALOX15 P16050 2/20 0.61
MAP3K5 Q99683 1/20 0.61
HSD17B10 Q99714 5/20 0.59
TSHR P16473 3/20 0.59
CHEK1 O14757 1/20 0.58
PDPK1 O15530 1/20 0.58
PAK1 Q13153 1/20 0.58
KIT P10721 1/20 0.57
PTK2B Q14289 1/20 0.56
CASP1 P29466 1/20 0.55

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
SCHEMBL2295736 0.85 RECQL (0.74) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL2299798 0.85 RECQL (0.74) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL12048138 0.84 HTT (0.86) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL6755685 0.84 HTT (0.86) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL29898244 0.84 HTT (0.86) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL2302244 0.82 L3MBTL1 (1.00) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL2301186 0.82 HTT (0.75) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL1791997 0.80 RECQL (0.66) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL2299838 0.79 MAPT (0.72) RECQLL3MBTL1MAPTRPS6KB1HTT
SCHEMBL12048159 0.78 RECQL (0.64) RECQLL3MBTL1MAPTRPS6KB1HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 CN disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP 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
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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 (2 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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RECQL 2550/4885L3MBTL1 3691/4885MAPT 3423/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RECQL 1976/4885L3MBTL1 2400/4885MAPT 4051/4885

“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.