SCHEMBL25554366

SCHEMBL25554366

Cn1nc(-c2ccccn2)cc1Oc1cc(C#N)ccc1-c1ccc(CC(C)(C)N)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.35
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 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
SCHEMBL30353118 0.90 GRM5 (0.37) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL25554896 0.90 GRM5 (0.37) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL25554072 0.88 GRM5 (0.36) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL30353056 0.88 GRM5 (0.36) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL25058091 0.87 GRM5 (0.36) GRM5
SCHEMBL30257112 0.84 CNR1 (0.32) GRM5SMN1; SMN2
SCHEMBL25561324 0.84 CNR1 (0.32) GRM5SMN1; SMN2
SCHEMBL25554359 0.84 KDM1A (0.36) CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL25554467 0.82 GRM5 (0.39) GRM5KDM1A
SCHEMBL25555974 0.82 GRM5 (0.34) GRM5KCNH2

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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 GRM5 3302/4885CYP19A1 3966/4885CYP11B1 300/4885

“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.