SCHEMBL28412950

SCHEMBL28412950

CCC1(NC(=O)OCc2ccccc2)CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 4/20 0.42
TLR2 O60603 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL12909856 0.85 CTSS (0.42) CTSSCTSLCTSBCTSKTLR2
SCHEMBL16219332 0.83 CTSL (0.52) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL14650073 0.83 CTSS (0.48) CTSSCTSLCTSBCTSKTLR2
SCHEMBL23387355 0.81 CTSB (0.44) CTSSCTSLCTSBCTSKTLR2
SCHEMBL28693731 0.80 CTSS (0.50) CTSSCTSLCTSBCTSKTLR2
SCHEMBL15575112 0.78 NPC1 (0.50) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL29761503 0.78 CTSL (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL22495659 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKTLR2
SCHEMBL20744116 0.78 JAK2 (0.47) CTSSCTSLCTSBCTSKJAK2
SCHEMBL30184830 0.78 CTSS (0.43) CTSSCTSLCTSBCTSKTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278840-B Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer 癌症研究科技有限公司 2023-11-17 CN disclosed
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 US disclosed
CN-111278840-A Pyrrolo [2, 3-B ] pyridine compounds and their use for treating cancer 癌症研究科技有限公司 2020-06-12 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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB CTSS 2877/4885CTSL 2560/4885CTSB 1418/4885

“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.