SCHEMBL6429331

SCHEMBL6429331

CCCCCCCNc1nc(Nc2cccc(F)c2)nc(N(C)C2CCN(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.46
TBK1 Q9UHD2 2/20 0.44
IDH2 P48735 1/20 0.44
CAMK2D Q13557 2/20 0.40
EHMT2 Q96KQ7 3/20 0.40
EHMT1 Q9H9B1 3/20 0.40
POLB P06746 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
ABL1 P00519 1/20 0.38
BTK Q06187 1/20 0.38
CFTR P13569 1/20 0.37

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
SCHEMBL6269757 0.82 KCNH3 (0.41) KCNH3CAMK2DEHMT2EHMT1
SCHEMBL5029195 0.81 IDH2 (0.57) IDH2EHMT2EHMT1
SCHEMBL4832446 0.77 GALR1 (0.42) EHMT2EHMT1
SCHEMBL5552484 0.76 EHMT2 (0.47) EHMT2EHMT1POLB
SCHEMBL13347230 0.74 KCNH3 (0.57) KCNH3
SCHEMBL4836212 0.74 BCL6 (0.50) KCNH3EHMT2EHMT1
SCHEMBL4829068 0.73 BCL6 (0.46) EHMT2EHMT1
SCHEMBL6819368 0.72 EHMT2 (0.38) IDH2EHMT2EHMT1ABL1BTK
SCHEMBL14421529 0.72 EHMT2 (0.46) KCNH3EHMT2EHMT1
SCHEMBL4838198 0.71 RPS6KA3 (0.36) KCNH3IDH2

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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 KCNH3 4434/4885TBK1 348/4885IDH2 3730/4885

“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.