SCHEMBL21779264

SCHEMBL21779264

Cn1ccc2c(NC(C)(C)C)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
RET P07949 2/20 0.42
NOTUM Q6P988 1/20 0.41
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
SYK P43405 1/20 0.39
CD38 P28907 1/20 0.39
YTHDC1 Q96MU7 1/20 0.37
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL18572173 0.81 ABL1 (0.54) ABL1BCRTP53LMNARET
SCHEMBL22000964 0.77 SMN1; SMN2 (0.50) ABL1BCRTP53NPC1LMNA
SCHEMBL13214883 0.74 ABL1 (0.65) ABL1BCRNPC1LMNAHPGD
SCHEMBL15079235 0.74 NOTUM (0.44) ABL1BCRRETNOTUMCHRNA7
SCHEMBL16363295 0.73 ABL1 (0.67) ABL1BCRTP53NPC1LMNA
SCHEMBL6438572 0.72 ABL1 (0.46) ABL1BCRTP53LMNASMN1; SMN2
SCHEMBL21562162 0.71 YTHDC1 (0.67) TP53NPC1LMNAHPGDRAB9A
SCHEMBL256213 0.71 NOTUM (0.47) ABL1BCRTP53RETNOTUM
SCHEMBL3401277 0.70 ABL1 (1.00) ABL1BCR
SCHEMBL20708113 0.70 ADORA1 (0.47) ABL1BCRTP53NPC1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases TAIPEI MEDICAL UNIVERSITY (TW) 2020-03-03 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 (4 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-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 ABL1 1983/4885BCR 2060/4885TP53 138/4885
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases PSMB1, UBQLN1, PSMB5 ABL1 1982/4885BCR 1062/4885TP53 255/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 ABL1 1802/4885BCR 3269/4885TP53 187/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ABL1 879/4885BCR 1207/4885TP53 114/4885

“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.