SCHEMBL25568231

SCHEMBL25568231

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 8/20 0.36
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
CCR9 P51686 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PRKDC P78527 2/20 0.32
SCN9A Q15858 1/20 0.32
MAPK14 Q16539 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL30353089 0.92 CYP19A1 (0.33) NSD2NTRK1NTRK2CCR9CYP19A1
SCHEMBL25554412 0.92 CYP19A1 (0.33) NSD2NTRK1NTRK2CCR9CYP19A1
SCHEMBL23949601 0.92 NSD2 (0.39) NSD2CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL30353055 0.92 NSD2 (0.39) NSD2CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL23949240 0.87 NSD2 (0.38) NSD2CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL30257015 0.87 NTRK1 (0.33) NTRK1NTRK2CCR9CYP19A1CYP11B1
SCHEMBL25554488 0.87 NTRK1 (0.33) NTRK1NTRK2CCR9CYP19A1CYP11B1
SCHEMBL30257183 0.86 NSD2 (0.37) NSD2CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL25058663 0.86 NSD2 (0.37) NSD2CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL30257092 0.85 NSD2 (0.37) NSD2CYP19A1CYP11B1CYP11B2PRKDC

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 1 patent. 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

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 3265/4885NTRK1 779/4885NTRK2 2578/4885

“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.