SCHEMBL1249231

SCHEMBL1249231

C1=CN(Cc2ccccc2)NN=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.38
SIGMAR1 Q99720 2/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
DAO P14920 1/20 0.35
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL8894887 0.69 SIGMAR1 (0.39) CYP19A1SIGMAR1KDM4EF2PLG
SCHEMBL4564191 0.68
SCHEMBL30445901 0.63 CYP19A1 (0.38) CYP19A1SIGMAR1KDM4ETSHRNPSR1
SCHEMBL5668043 0.63 SIGMAR1 (0.41) CYP19A1SIGMAR1KDM4ETSHRNPSR1
SCHEMBL5011455 0.62 CALM1 (0.34) CYP19A1SIGMAR1KDM4ETSHRNPSR1
SCHEMBL28795504 0.62 ALDH1A1 (0.39) CYP19A1SIGMAR1KDM4EF2PLG
SCHEMBL7883589 0.62 SIGMAR1 (0.39) CYP19A1SIGMAR1KDM4ETSHRF2
SCHEMBL1085421 0.62 SIGMAR1 (0.39) CYP19A1SIGMAR1KDM4EF2PLG
SCHEMBL5342697 0.60 CYP19A1 (0.39) CYP19A1SIGMAR1KDM4ETSHRNPSR1
SCHEMBL10756978 0.60 CYP19A1 (0.39) CYP19A1SIGMAR1KDM4EF2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464353-B1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2017-03-29 EP disclosed
US-8940892-B2 Triazine derivatives for use in the treatment of malaria CSIR (ZA) 2015-01-27 US disclosed
EP-2464353-A1 TRIAZINE DERIVATES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2012-06-20 EP disclosed
US-20120142920-A1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2012-06-07 US disclosed
WO-2011018742-A1 TRIAZINE DERIVATES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2011-02-17 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-20120142920-A1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CYP3A7, CCR7, CYP3A5 CYP19A1 915/4885SIGMAR1 430/4885KDM4E 2423/4885

“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.