SCHEMBL21964142

SCHEMBL21964142

Cc1nc(Nc2nc(C)c3ccc(OCCN4CCOCC4)cc3n2)[nH]c(=O)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.63
XBP1 P17861 1/20 0.63
CLK1 P49759 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP2 O95551 1/20 0.53
STAT3 P40763 3/20 0.48
MAOA P21397 1/20 0.48
AURKA O14965 2/20 0.45
CCR4 P51679 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ACHE P22303 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL31320140 1.00 RAB9A (0.63) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL29992512 0.79 MAOA (0.55) RAB9AALDH1A1NPC1KMT2AMAOA
SCHEMBL19385517 0.78 MAPT (1.00) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28600044 0.74 MAPT (0.75) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28595390 0.74 MAPT (0.75) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28600039 0.73 MAPT (0.74) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL22013244 0.72 ALDH1A1 (0.71) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL13841371 0.72 NPC1 (0.57) ALDH1A1NPC1KMT2AMAOACCR4
SCHEMBL21964225 0.71 MAPT (0.70) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL31320231 0.71 ALDH1A1 (0.70) RAB9AALDH1A1NPC1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2025-02-04 US claimed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP claimed
US-20220047597-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2022-02-17 US claimed
EP-3880205-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER Institut Gustave-Roussy (FR) 2021-09-22 EP claimed
CN-113226323-A Madricin derivative compounds, compositions and uses thereof for treating cancer 法国古士塔柏罗斯学院 2021-08-06 CN claimed
WO-2020099650-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2020-05-22 WO claimed
US-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2025-02-04 US disclosed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP disclosed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP disclosed
US-20220047597-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2022-02-17 US disclosed
WO-2020099650-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2020-05-22 WO 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 (2 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-20220047597-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER PTPRS, PTMS, PTPRC RAB9A 1993/4885ALDH1A1 1922/4885NPC1 1449/4885
US-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer PTPRS, PTMS, PTPRC RAB9A 1993/4885ALDH1A1 1922/4885NPC1 1449/4885

“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.