SCHEMBL30168583

SCHEMBL30168583

CCN1CCc2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.55
▸ NOTUM Q6P988 1/20 0.47
▸ MAPT P10636 6/20 0.44
▸ GAA P10253 4/20 0.44
▸ RAD52 P43351 3/20 0.44
▸ GFER P55789 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PTK2B Q14289 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ NR4A1 P22736 1/20 0.39

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
SCHEMBL618018 1.00 ATAD2 (0.55) ATAD2NOTUMMAPTGAARAD52
SCHEMBL10493943 0.90 ATAD2 (0.53) ATAD2NOTUMMAPTGAARAD52
SCHEMBL3656320 0.86 MAPT (0.49) ATAD2NOTUMMAPTGAARAD52
SCHEMBL2267570 0.86 HTR2A (0.45) ATAD2NOTUMMAPTGAARAD52
Hydrochloric Acid SCHEMBL6844552 0.84 HTR2A (0.44) ATAD2NOTUMMAPTGAARAD52
SCHEMBL24077203 0.81 HTR2A (0.46) ATAD2MAPTGAARAD52GFER
SCHEMBL3437431 0.80 NOTUM (0.51) NOTUMHRH3KDM4EALDH1A1MEN1
SCHEMBL18426670 0.80 ATAD2 (0.43) ATAD2NOTUMMAPTGAARAD52
SCHEMBL4005243 0.80 NOS3 (0.46) ATAD2MAPTGAARAD52GFER
SCHEMBL15068983 0.79 MAPT (0.47) ATAD2MAPTGAARAD52GFER

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 — — 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ATAD2 2496/4885NOTUM 2088/4885MAPT 1004/4885

“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.

Send feedback