SCHEMBL3448808

SCHEMBL3448808

CN(C)CCNc1nc(Cl)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TOP2A P11388 1/20 0.38
BPTF Q12830 1/20 0.38
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3374448 0.91 KMT2A (0.45) MEN1KMT2ARAB9ASTK17BSTK17A
SCHEMBL3447092 0.82 KMT2A (0.50) MEN1KMT2AL3MBTL1KDM4ESTK17B
SCHEMBL1774700 0.79 KMT2A (0.43) MEN1KMT2AL3MBTL1KDM4ESTK17B
SCHEMBL27635201 0.79 STK17B (0.44) MEN1KMT2AL3MBTL1STK17BSTK17A
SCHEMBL5151737 0.79 STK17A (0.50) MEN1KMT2AL3MBTL1PRKCISTK17B
SCHEMBL13897499 0.78 MEN1 (0.52) MEN1KMT2AL3MBTL1STK17BSTK17A
SCHEMBL3220499 0.78 KMT2A (0.44) MEN1KMT2AKDM4ERAB9ASTK17B
SCHEMBL30367077 0.78 MEN1 (0.47) MEN1KMT2AL3MBTL1STK17BSTK17A
SCHEMBL4188949 0.78 KMT2A (0.47) MEN1KMT2AL3MBTL1KDM4ESTK17B
SCHEMBL17162112 0.78 MEN1 (0.47) MEN1KMT2AL3MBTL1STK17BSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD MEN1 859/4885KMT2A 4408/4885L3MBTL1 4616/4885

“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.