SCHEMBL23938014

SCHEMBL23938014

Cc1sc2nc(I)ncc2c1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NOS1 P29475 1/20 0.31
IKBKB O14920 2/20 0.31
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21703985 0.81 LIMK1 (0.34) LIMK1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24729646 0.68 ALDH1A1 (0.45) LIMK1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL20731005 0.68 ALDH1A1 (0.62) LIMK1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL21704211 0.67 KDM4E (0.33) LIMK1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL23938225 0.67 ABCB1 (0.35) LIMK1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23938107 0.66 KDM4E (0.42) LIMK1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL23938084 0.64 IKBKB (0.43) LIMK1L3MBTL1MAPTNOS1IKBKB
SCHEMBL20731564 0.64 USP25 (0.38)
SCHEMBL23937997 0.63 KDM4E (0.41) LIMK1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23317016 0.63 LIMK1 (0.56) LIMK1L3MBTL1MAPTNOS1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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 (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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 LIMK1 4396/4885L3MBTL1 1885/4885KDM4E 403/4885

“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.