SCHEMBL6515025

SCHEMBL6515025

Cc1ccc2nc([C@H](C)O)[nH]c2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN10A Q9Y5Y9 4/20 0.34
DAO P14920 1/20 0.33
MLKL Q8NB16 2/20 0.33
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33

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
SCHEMBL6757192 0.86 KDM4E (0.42) CYP1A2ALDH1A1ALOX15HTTUSP2
SCHEMBL6753935 0.80 SCN10A (0.38) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL6516334 0.75 CYP1A2 (0.47) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL22349154 0.74 KDM4E (0.43) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL353027 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL6519944 0.73 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL6517964 0.73 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL18554461 0.72 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL20378138 0.72 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL6756157 0.71 KDM4E (0.48) KMT2AUSP2HPGDKDM4EMAPT

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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 CYP1A2 3569/4885ALDH1A1 2713/4885ALOX15 1939/4885

“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.