SCHEMBL6016904

SCHEMBL6016904

CNc1nc(Nc2ccc(OC)c(Cl)c2)nc(N(C2CCCCCC2)C2CCN(C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
EPHB4 P54760 1/20 0.42
BRD4 O60885 4/20 0.40
MALT1 Q9UDY8 1/20 0.40
RECQL P46063 1/20 0.39
PIP4K2A P48426 1/20 0.39

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
SCHEMBL5422822 0.91 BCL6 (0.47) BCL6MAPTGAAEHMT2NPC1
SCHEMBL6863750 0.89 EHMT2 (0.46) BCL6EHMT2
SCHEMBL6642163 0.89 EHMT2 (0.46) BCL6EHMT2EGFR
Hydrochloric Acid SCHEMBL6611427 0.88 EHMT2 (0.46) BCL6EHMT2EGFR
Hydrochloric Acid SCHEMBL6611422 0.87 EHMT2 (0.45) BCL6EHMT2EGFR
SCHEMBL4840694 0.84 BCL6 (0.52) BCL6MAPTGAAEHMT2NPC1
SCHEMBL6282299 0.83 OPRM1 (0.38) BCL6MAPTGAAEHMT2KMT2A
SCHEMBL4829075 0.83 BCL6 (0.54) BCL6MAPTGAAEHMT2NPC1
SCHEMBL5038228 0.83 BCL6 (0.56) BCL6MAPTGAAEHMT2NPC1
SCHEMBL6016997 0.81 IDH2 (0.43) MAPTGAAEHMT2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 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-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI BCL6 2367/4885MAPT 4022/4885GAA 44/4885

“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.