SCHEMBL25554247

SCHEMBL25554247

Cn1nc(-c2ccccc2)cc1Oc1cc(C#N)ccc1-c1ncc(CCN)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
SCN9A Q15858 1/20 0.40
PIN1 Q13526 1/20 0.36
PHGDH O43175 1/20 0.35
GRM5 P41594 2/20 0.35
ADRA2C P18825 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
NSD2 O96028 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL30353060 0.93 SCN9A (0.41) CYP11B1CYP11B2CYP19A1SCN9APIN1
SCHEMBL25554317 0.93 SCN9A (0.41) CYP11B1CYP11B2CYP19A1SCN9APIN1
SCHEMBL30353065 0.92 GRM5 (0.39) CYP11B1CYP11B2CYP19A1SCN9AGRM5
SCHEMBL25554479 0.92 GRM5 (0.39) CYP11B1CYP11B2CYP19A1SCN9AGRM5
SCHEMBL30353086 0.90 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1SCN9APIN1
SCHEMBL25554071 0.90 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1SCN9APIN1
SCHEMBL30353098 0.89 GRM5 (0.36) CYP11B1CYP11B2CYP19A1GRM5
SCHEMBL25554262 0.89 GRM5 (0.36) CYP11B1CYP11B2CYP19A1GRM5
SCHEMBL30257312 0.88 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1PHGDHGRM5
SCHEMBL25554437 0.88 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1PHGDHGRM5

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 CYP11B1 300/4885CYP11B2 364/4885CYP19A1 3966/4885

“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.