SCHEMBL19951307

SCHEMBL19951307

CNC(=O)c1cccc(Cn2nc(C)c(N)c2C)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.53
BRD4 O60885 2/20 0.50
GAA P10253 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.43
SLC2A1 P11166 1/20 0.42
P2RX7 Q99572 1/20 0.40
LMNA P02545 3/20 0.39
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
BAZ2B Q9UIF8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 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
SCHEMBL19951277 0.81 ALDH1A1 (0.48) BRD4GAAKMT2ANPC1POLB
SCHEMBL19951196 0.76 LMNA (0.59) BRD4GAAKDM4EMEN1KMT2A
SCHEMBL19951210 0.75 KDM4E (0.49) BRD4GAAKDM4EMEN1KMT2A
SCHEMBL19951220 0.75 KLKB1 (0.44) MBOAT4GAAKDM4EMEN1KMT2A
SCHEMBL17515050 0.71 BRD4 (0.69) MBOAT4BRD4P2RX7PARP1POLB
SCHEMBL16832224 0.69 MAPT (0.49) GAAKDM4EMEN1KMT2AGFER
SCHEMBL19837407 0.69 MBOAT4 (1.00) MBOAT4
SCHEMBL16832680 0.69 KDM4E (0.62) MBOAT4GAAKDM4EMEN1KMT2A
SCHEMBL19951266 0.68 KDM4E (0.47) GAAKDM4EMEN1KMT2AGFER
SCHEMBL8403540 0.68 BRD4 (0.62) BRD4GAAKDM4EMEN1KMT2A

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-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 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 (2 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 MBOAT4 4154/4885BRD4 642/4885GAA 1917/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 MBOAT4 4154/4885BRD4 642/4885GAA 1917/4885

“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.