SCHEMBL29887253

SCHEMBL29887253

CN[C@@H]1C[C@@]2(C)O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
ALDH1A1 P00352 2/20 1.00
KDR P35968 9/20 0.68
PRKCZ Q05513 7/20 0.68
CDK4 P11802 5/20 0.68
CDK2 P24941 5/20 0.68
RET P07949 4/20 0.68
PDGFRB P09619 4/20 0.68
CCND1 P24385 4/20 0.68
CCNE1 P24864 4/20 0.68
FLT3 P36888 4/20 0.68
BTK Q06187 4/20 0.68
MAP3K5 Q99683 4/20 0.68
IRAK4 Q9NWZ3 4/20 0.68
JAK2 O60674 3/20 0.68
ABL1 P00519 3/20 0.68
ERBB2 P04626 3/20 0.68
LCK P06239 3/20 0.68
LYN P07948 3/20 0.68
KIT P10721 3/20 0.68

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
SCHEMBL10026708 1.00 MAPT (1.00) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL12259742 0.82 ALDH1A1 (0.69) MAPTALDH1A1KDRPRKCZRET
SCHEMBL14498904 0.81 PRKCQ (0.70) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL16440374 0.81 PRKCQ (0.70) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL24606232 0.81 PRKCZ (1.00) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL18808417 0.81 PRKCZ (1.00) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL14845612 0.81 PRKCZ (1.00) MAPTALDH1A1KDRPRKCZCDK4
SCHEMBL20333841 0.81 PRKCZ (1.00) MAPTALDH1A1KDRPRKCZCDK4
Staurosporine SCHEMBL23793206 0.79 PRKCQ (1.00) MAPTALDH1A1KDRPRKCZCDK4
Staurosporine SCHEMBL23768489 0.79 PRKCQ (1.00) MAPTALDH1A1KDRPRKCZCDK4

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-20250025473-A1 CELL IMPERMEABLE KINASE INHIBITORS TO TREAT SARS-COV-2 AND/OR HSV VIRAL INFECTIONS ALBERT EINSTEIN COLLEGE MEDICINE (US) 2025-01-23 US disclosed
CN-114958764-A CD20 therapy, CD22 therapy, and combination therapy with CD19 Chimeric Antigen Receptor (CAR) -expressing cells 诺华股份有限公司 2022-08-30 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-20250025473-A1 CELL IMPERMEABLE KINASE INHIBITORS TO TREAT SARS-COV-2 AND/OR HSV VIRAL INFECTIONS PDPK1, DAPK1, DAPK2 MAPT 900/4885ALDH1A1 4605/4885KDR 825/4885

“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.