SCHEMBL25554204

SCHEMBL25554204

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.40
SCN9A Q15858 4/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
FAAH O00519 1/20 0.36
PIN1 Q13526 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRM5 P41594 1/20 0.34
EP300 Q09472 1/20 0.33
PRKDC P78527 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL30257430 0.92 GRM5 (0.38) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25251491 0.92 GRM5 (0.38) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25554410 0.90 PHGDH (0.41) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25554317 0.87 SCN9A (0.41) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL30353060 0.87 SCN9A (0.41) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25554325 0.86 SCN9A (0.38) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25554810 0.85 CRHR1 (0.33) SCN9ACYP19A1CYP11B1CYP11B2CTSA
SCHEMBL25554247 0.85 CYP11B1 (0.41) PHGDHSCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL30257529 0.85 NR3C1 (0.33) CYP19A1CYP11B1CYP11B2GRM5ALOX5AP
SCHEMBL25267103 0.85 NR3C1 (0.33) CYP19A1CYP11B1CYP11B2GRM5ALOX5AP

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 PHGDH 4304/4885SCN9A 760/4885CYP19A1 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.