SCHEMBL25554458

SCHEMBL25554458

Cn1nc(-c2nccs2)cc1Oc1cc(C#N)ccc1-c1ccc(CCN)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
SCN9A Q15858 4/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 1/20 0.31
NSD2 O96028 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL30256868 1.00 CRHR1 (0.33) CRHR1CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL25554461 0.91 CRHR1 (0.34) CRHR1CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL30257220 0.91 CRHR1 (0.34) CRHR1CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL25554706 0.86 CYP11B1 (0.36) CYP19A1CYP11B1CYP11B2SCN9ANSD2
SCHEMBL30257538 0.85 CRHR1 (0.35) CRHR1CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL30353056 0.85 GRM5 (0.36) CYP19A1CYP11B1CYP11B2
SCHEMBL25554854 0.85 CRHR1 (0.35) CRHR1CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL25554072 0.85 GRM5 (0.36) CYP19A1CYP11B1CYP11B2
SCHEMBL30353086 0.85 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2SCN9ANSD2
SCHEMBL25554071 0.85 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2SCN9ANSD2

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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN 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 CRHR1 1109/4885CYP19A1 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.