SCHEMBL20117984

SCHEMBL20117984

CNc1nc(NC(C)C)nc(NC(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
KCNH3 Q9ULD8 3/20 0.48
IDH1 O75874 1/20 0.42
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29368367 1.00 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL15131652 0.91 GAA (0.52) GAATDP1HTTMAPK1LMNA
SCHEMBL2684956 0.89 GAA (0.83) GAATDP1HTTMAPK1LMNA
SCHEMBL8041736 0.88 GAA (0.74) GAATDP1HTTMAPK1LMNA
SCHEMBL2682570 0.85 KMT2A (0.53) GAATDP1HTTMAPK1LMNA
SCHEMBL29435432 0.85 MAPK1 (0.50) GAATDP1HTTMAPK1LMNA
SCHEMBL28674495 0.85 GAA (0.58) GAATDP1HTTMAPK1LMNA
SCHEMBL29462964 0.85 KMT2A (0.53) GAATDP1HTTMAPK1LMNA
SCHEMBL8827500 0.85 MAPK1 (0.50) GAATDP1HTTMAPK1LMNA
SCHEMBL66639 0.85 MAPK1 (0.50) GAATDP1HTTMAPK1LMNA

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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 US disclosed
US-10444626-B2 Hologram recording composition, hologram recording medium, and method of producing hologram recording medium SONY CORPORATION (JP) 2019-10-15 US disclosed
US-20180120694-A1 HOLOGRAM RECORDING COMPOSITION, HOLOGRAM RECORDING MEDIUM, AND METHOD OF PRODUCING HOLOGRAM RECORDING MEDIUM SONY CORPORATION (JP) 2018-05-03 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 (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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR GAA 3314/4885TDP1 4302/4885HTT 2023/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR GAA 3314/4885TDP1 4302/4885HTT 2023/4885

“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.