SCHEMBL2297686

SCHEMBL2297686

O=[N+]([O-])c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.67
MAPT P10636 5/20 0.67
HSD17B10 Q99714 3/20 0.63
CASP1 P29466 1/20 0.63
BRCA1 P38398 1/20 0.63
CASP7 P55210 1/20 0.63
RPS6KB1 P23443 1/20 0.59
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
CHEK1 O14757 1/20 0.56
PDPK1 O15530 1/20 0.56
PAK1 Q13153 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
AKT2 P31751 3/20 0.56
LMNA P02545 2/20 0.56
ALOX15 P16050 2/20 0.56
MAP3K5 Q99683 1/20 0.56
RECQL P46063 2/20 0.53
CDC7 O00311 1/20 0.53
DBF4 Q9UBU7 1/20 0.53

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
SCHEMBL1030944 0.82 PDGFRB (0.68) HTTMAPTMAPK1TP53HRH4
SCHEMBL2298278 0.81 HTT (1.00) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL2301186 0.80 HTT (0.75) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL6755685 0.80 HTT (0.86) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL29898244 0.80 HTT (0.86) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL12048138 0.80 HTT (0.86) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL2293940 0.78 MAPT (1.00) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL2299838 0.75 MAPT (0.72) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL2298188 0.74 MAPT (1.00) HTTMAPTHSD17B10CASP1BRCA1
SCHEMBL9095854 0.74 HTT (1.00) HTTMAPTHSD17B10CASP1BRCA1

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-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
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 HTT 4789/4885MAPT 3423/4885HSD17B10 1813/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 HTT 3375/4885MAPT 4051/4885HSD17B10 4375/4885

“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.