SCHEMBL4301013

SCHEMBL4301013

CCC(COc1ncc(-c2cc(Br)c(O)c(Br)c2)nn1)c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4301007 0.82 GAA (0.33) TSHRGAAKMT2A
SCHEMBL3242221 0.78 CNR1 (0.38) KMT2ACYP2C19
SCHEMBL4301010 0.78 MEN1 (0.33) GAAKMT2A
SCHEMBL3246142 0.76 MEN1 (0.36) GAAKMT2A
SCHEMBL3236505 0.70 RAB9A (0.37) PTPN1
SCHEMBL3242960 0.70 PTPN1 (0.45) GAAKMT2ACYP2C19PTPN1
SCHEMBL3232727 0.70 KDM4E (0.40) GAAKMT2ACYP2C19
SCHEMBL3237976 0.69 ALDH1A1 (0.37) TSHRKMT2APTPN1
SCHEMBL3240328 0.69 GPR84 (0.44) GAAKMT2A
SCHEMBL3245822 0.69 CRHBP (0.40) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 TSHR 984/4885GAA 1202/4885KMT2A 4503/4885

“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.