SCHEMBL21209600

SCHEMBL21209600

CNC(=O)c1ccn(CCOC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
BAZ2B Q9UIF8 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL21210616 0.85 AR (0.44) ARRAB9ANPC1KMT2AMEN1
SCHEMBL2417924 0.84 SMN1; SMN2 (0.49) ARRAB9ANPC1KMT2AMEN1
SCHEMBL2829494 0.83 KMT2A (0.42) ARRAB9ANPC1KMT2AMEN1
SCHEMBL21210617 0.82 HDAC1 (0.43) ARRAB9ANPC1KMT2AMEN1
SCHEMBL864248 0.81 PTGER1 (0.41) ARRAB9ANPC1KMT2AMEN1
SCHEMBL19537493 0.80 RAB9A (0.60) RAB9ANPC1KMT2ABAZ2BPOLB
SCHEMBL2413194 0.80 CYP1A2 (0.46) ARRAB9ANPC1KMT2AMEN1
SCHEMBL29705220 0.76 CACNA1G (0.54) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL18390544 0.76 KDM4C (0.67) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL20046308 0.75 SMN1; SMN2 (0.47) ARRAB9ANPC1KMT2AMEN1

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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR AR 4026/4885RAB9A 3549/4885NPC1 176/4885

“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.