SCHEMBL2115737

SCHEMBL2115737

NC(=O)c1ccc2c(c1)C=NCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
TSHR P16473 1/20 0.37
LCK P06239 1/20 0.35
MAP2K4 P45985 3/20 0.35
MAPK1 P28482 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
AR P10275 1/20 0.34
PARP1 P09874 3/20 0.33
CDC7 O00311 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL2116598 0.89 TSHR (0.38) SIRT2TSHRLCKPKN1PKN2
SCHEMBL27604301 0.85 KDM4E (0.44) SIRT2TSHRMAPK1
SCHEMBL29687112 0.75 KDM4E (0.41) SIRT2TSHRMAPK1
SCHEMBL28318621 0.75 KDM4E (0.41) SIRT2TSHRMAPK1
SCHEMBL2226474 0.73 NNMT (0.51) SIRT2MKNK1MKNK2CHEK2NNMT
SCHEMBL7341198 0.71 KDM1A (0.40) TSHRLCKPARP1NNMT
SCHEMBL35211576 0.71 NNMT (0.45) SIRT2MKNK1MKNK2NNMT
SCHEMBL1570867 0.70 BRD4 (0.34) MKNK2CDK2CHEK2
SCHEMBL27556733 0.70 KDM1A (0.39) TSHRLCKPARP1NNMT
SCHEMBL5579532 0.70 TSHR (0.44) SIRT2TSHRLCKMAPK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN claimed
EP-1789400-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP claimed
WO-2006024836-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
EP-1789400-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
WO-2006024836-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 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 (1 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SIRT2 81/4885TSHR 972/4885LCK 1686/4885

“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.