SCHEMBL7673369

SCHEMBL7673369

Nc1ccccc1C(=O)NC1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.56
CDK2AP1 O14519 7/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PARP1 P09874 1/20 0.54
PBK Q96KB5 2/20 0.52
CRBN Q96SW2 1/20 0.49

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
SCHEMBL29392153 1.00 CHEK1 (0.56) CHEK1CDK2AP1KDM4EALDH1A1PARP1
SCHEMBL13161898 0.84 ALDH1A1 (0.61) KDM4EALDH1A1CRBN
SCHEMBL22720116 0.84 ALDH1A1 (0.66) KDM4EALDH1A1CRBN
SCHEMBL5654175 0.83 CHEK1 (0.60) CHEK1CDK2AP1PARP1PBK
SCHEMBL1278935 0.83 NPC1 (0.69) CHEK1CDK2AP1PARP1PBK
SCHEMBL1674869 0.83 NPC1 (0.69) CHEK1CDK2AP1PARP1PBK
SCHEMBL31227213 0.83 CHEK1 (0.60) CHEK1CDK2AP1PARP1PBK
SCHEMBL1278937 0.83 NPC1 (0.69) CHEK1CDK2AP1PARP1PBK
SCHEMBL11056410 0.82 ALDH1A1 (0.56) CHEK1KDM4EALDH1A1PARP1CRBN
SCHEMBL2154833 0.82 ALDH1A1 (0.69) KDM4EALDH1A1

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
US-9045437-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-06-02 US disclosed
US-9006239-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-04-14 US disclosed
US-8710064-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2014-04-29 US disclosed
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2014-01-16 US disclosed
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2013-11-21 US disclosed
US-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions CHINA MEDICAL UNIVERSITY (TW) 2013-04-25 US disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 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 (3 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-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions AQP4, KRAS, RB1 CHEK1 2769/4885CDK2AP1 2649/4885KDM4E 1135/4885
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, NFE2, NR2E1 CHEK1 3278/4885CDK2AP1 2157/4885KDM4E 51/4885
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, RB1, NR2E1 CHEK1 3212/4885CDK2AP1 2207/4885KDM4E 91/4885

“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.