SCHEMBL25555463

SCHEMBL25555463

Cc1csc(-c2cc(Oc3cc(C#N)ccc3-c3ncc(CN)cn3)n(C)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.33
AOC3 Q16853 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PDE5A O76074 1/20 0.32
SCN9A Q15858 1/20 0.30
PRKDC P78527 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
GCK P35557 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 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
SCHEMBL25555462 0.88 GAA (0.37) NSD2SCN9APRKDC
SCHEMBL25555465 0.86 NSD2 (0.33) NSD2SCN9AGABRG2GABRB3GABRA3
SCHEMBL30257538 0.86 CRHR1 (0.35) NSD2SCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25554854 0.86 CRHR1 (0.35) NSD2SCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL25555468 0.86 NSD2 (0.33) NSD2SCN9AGABRG2GABRB3GABRA3
SCHEMBL25554961 0.84 TGFBR1 (0.38) NSD2PRKDCCYP19A1CYP11B1CYP11B2
SCHEMBL30257068 0.84 TGFBR1 (0.38) NSD2PRKDCCYP19A1CYP11B1CYP11B2
SCHEMBL25417374 0.84 NSD2 (0.33) NSD2SCN9A
SCHEMBL30353083 0.84 NSD2 (0.33) NSD2SCN9A
SCHEMBL30353121 0.84 NSD2 (0.35) NSD2SCN9APRKDC

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 NSD2 3265/4885AOC3 1952/4885CYP1A1 1668/4885

“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.