SCHEMBL23949874

SCHEMBL23949874

Cn1nc(-c2ccccn2)cc1Oc1cc(C#N)cnc1-c1ccc(CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
HPGDS O60760 2/20 0.34
ATM Q13315 3/20 0.34
F2 P00734 2/20 0.34
NAMPT P43490 2/20 0.34
AKT1 P31749 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TNF P01375 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HDAC1 Q13547 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL30256950 1.00 NSD2 (0.39) NSD2HPGDSATMF2NAMPT
SCHEMBL23949876 0.82 GRM5 (0.36) NSD2
SCHEMBL30353399 0.82 GRM5 (0.36) NSD2
SCHEMBL25861439 0.77 HPGDS (0.52) HPGDSNAMPTAKT1HDAC1
SCHEMBL23949875 0.76 NSD2 (0.42) NSD2NAMPTTNFIRAK4HDAC1
SCHEMBL30257441 0.75 GRM5 (0.36)
SCHEMBL25555922 0.75 GRM5 (0.36)
SCHEMBL25555925 0.75 NSD2 (0.40) NSD2AKT1
SCHEMBL25555998 0.73 GRM5 (0.38) NSD2AKT1
SCHEMBL25554366 0.73 GRM5 (0.35) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 NSD2 3265/4885HPGDS 4264/4885ATM 1170/4885

“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.