SCHEMBL25417751

SCHEMBL25417751

Cn1nc([C@H]2CCCO2)cc1Oc1cc(C#N)ccc1-c1ccc(CN)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.33
KDM1A O60341 1/20 0.33
PRMT5 O14744 2/20 0.32
EGLN1 Q9GZT9 3/20 0.32
FASN P49327 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
DYRK3 O43781 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
CDK7 P50613 1/20 0.30
CDK5 Q00535 1/20 0.30
CAMK2G Q13555 1/20 0.30
MARK2 Q7KZI7 1/20 0.30
PIM3 Q86V86 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
SGK2 Q9HBY8 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
SCHEMBL25554653 0.94 KDM1A (0.33) KDM1APRMT5EGLN1CYP19A1CYP11B1
SCHEMBL25555980 0.94 KDM1A (0.33) KDM1APRMT5EGLN1CYP19A1CYP11B1
SCHEMBL25555995 0.88 NSD2 (0.33) NSD2KDM1AALOX5APFEN1DYRK3
SCHEMBL30353119 0.87 KDM1A (0.37) NSD2KDM1AALOX5APFEN1CYP19A1
SCHEMBL25554348 0.87 KDM1A (0.37) NSD2KDM1AALOX5APFEN1CYP19A1
SCHEMBL25554560 0.87 NSD2 (0.34) NSD2KDM1AEGLN1ALOX5APFEN1
SCHEMBL25554649 0.86 EGLN1 (0.33) PRMT5EGLN1FASNCYP19A1CYP11B1
SCHEMBL25555964 0.85 LRRK2 (0.34) NSD2KDM1AEGLN1ALOX5APFEN1
SCHEMBL30257252 0.81 NSD2 (0.39) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25554341 0.81 NSD2 (0.39) NSD2KDM1ACYP19A1CYP11B1CYP11B2

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 3265/4885KDM1A 4415/4885PRMT5 4344/4885

“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.