SCHEMBL2114287

SCHEMBL2114287

C=CCOc1nc(Cl)nc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ ATM Q13315 1/20 0.36
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ MGMT P16455 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL2114184 0.74 MAPT (0.46) CYP1A2ATMCDK1CCNB1MGMT
SCHEMBL2115403 0.71 MAPK1 (0.47) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL4318852 0.71 MAPT (0.47) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL6268748 0.68 CDK1 (0.43) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL6268751 0.68 CDK1 (0.69) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11143431 0.68 MAPT (0.39) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL2440352 0.67 ALDH1A1 (0.42) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL11017179 0.66 CYP1A2 (0.80) CYP1A2MAPT
SCHEMBL27963414 0.64 ATM (0.33) ATMCDK1CCNB1MGMTCCNA2
SCHEMBL31074877 0.64 MAPT (0.35) ATMHIF1AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436701-B2 Method for storing triallyl isocyanurate SHINRYO CORP (JP) 2021-12-22 — — EP disclosed
CN-102449001-B Method for storing triallyl isocyanurate NIPPON KASEI CHEM 2014-04-23 — — CN disclosed
EP-2436701-B1 Method for storing triallyl isocyanurate NIPPON KASEI CHEM (JP) 2013-08-07 — — EP disclosed
US-8431697-B2 Triallyl isocyanurate, triallyl cyanurate and process for producing triallyl isocyanurate NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2013-04-30 — — US disclosed
CN-102449001-A Method for storing triallyl isocyanurate NIPPON KASEI CHEM 2012-05-09 — — CN disclosed
CN-102438997-A Triallyl isocyanurate, triallyl cyanurate, and process for producing triallyl isocyanurate NIPPON KASEI CHEM 2012-05-02 — — CN disclosed
US-20120095225-A1 METHOD OF STORING TRIALLYL ISOCYANURATE NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2012-04-19 — — US disclosed
US-20120095223-A1 TRIALLYL ISOCYANURATE, TRIALLYL CYANURATE AND PROCESS FOR PRODUCING TRIALLYL ISOCYANURATE NIPPON CHEMICAL COMPANY LIMITED (JP) 2012-04-19 — — 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-20120095225-A1 METHOD OF STORING TRIALLYL ISOCYANURATE TIMCC, TST, TMT1A CYP1A2 2769/4885ATM 236/4885CDK1 484/4885
US-20120095223-A1 TRIALLYL ISOCYANURATE, TRIALLYL CYANURATE AND PROCESS FOR PRODUCING TRIALLYL ISOCYANURATE CA9, CROCC, CA2 CYP1A2 210/4885ATM 1245/4885CDK1 1156/4885

“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.

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