SCHEMBL3769816

SCHEMBL3769816

CCOC(=O)CNc1nc(NCc2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.65
TCF7L2 Q9NQB0 9/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.56
APP P05067 4/20 0.56
ACHE P22303 3/20 0.56
BCHE P06276 2/20 0.56
NTRK1 P04629 2/20 0.56
GRK6 P43250 1/20 0.56
RAD52 P43351 1/20 0.55
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
UBE2N P61088 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RCE1 Q9Y256 1/20 0.54
MEN1 O00255 1/20 0.54

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
Hydrochloric Acid SCHEMBL3639051 0.99 CTNNB1 (0.64) CTNNB1TCF7L2SMN1; SMN2HPGDAPP
SCHEMBL3112362 0.89 SLC2A1 (0.61) CTNNB1TCF7L2SMN1; SMN2HPGDAPP
SCHEMBL3641496 0.85 CTNNB1 (0.56) CTNNB1TCF7L2
SCHEMBL2590855 0.82 RAD52 (0.82) CTNNB1TCF7L2APPACHEBCHE
Hydrochloric Acid SCHEMBL3643618 0.81 MAPT (0.83) CTNNB1TCF7L2APPACHEBCHE
SCHEMBL3636951 0.80 RAD52 (0.69) CTNNB1TCF7L2APPACHEBCHE
SCHEMBL4179562 0.79 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4170227 0.77 CTNNB1 (0.82) CTNNB1TCF7L2
SCHEMBL4175843 0.77 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL3642835 0.76 RAD52 (0.72) CTNNB1TCF7L2APPACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 CTNNB1 4434/4885TCF7L2 1383/4885SMN1; SMN2 4830/4885

“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.