SCHEMBL3119112

SCHEMBL3119112

COc1ccc(CNc2nc(NCCNC(N)=O)nc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.61
SLC2A1 P11166 1/20 0.61
ACHE P22303 10/20 0.60
BCHE P06276 5/20 0.57
RAD52 P43351 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
UBE2N P61088 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RCE1 Q9Y256 1/20 0.53
EGFR P00533 2/20 0.52
POLB P06746 1/20 0.52
NR2F2 P24468 1/20 0.52
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3125281 0.90 APP (0.59) APPSLC2A1ACHEBCHERAD52
SCHEMBL2586993 0.84 SLC2A1 (0.81) APPSLC2A1ACHEBCHERAD52
SCHEMBL2255109 0.84 SLC2A1 (0.81) APPSLC2A1ACHEBCHERAD52
Hydrochloric Acid SCHEMBL3640013 0.83 SLC2A1 (0.80) APPSLC2A1ACHEBCHERAD52
SCHEMBL2258640 0.82 ACHE (0.80) APPSLC2A1ACHEBCHERAD52
SCHEMBL23747981 0.82 SLC2A1 (0.66) APPSLC2A1ACHEBCHERAD52
SCHEMBL2256958 0.81 APP (0.73) APPSLC2A1ACHEBCHERAD52
SCHEMBL4742773 0.81 SLC2A1 (0.57) APPSLC2A1ACHEBCHE
SCHEMBL4739328 0.81 SLC2A1 (0.57) APPSLC2A1ACHEBCHE
SCHEMBL4737772 0.81 SLC2A1 (0.57) APPSLC2A1ACHEBCHE

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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US claimed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 APP 3879/4885SLC2A1 337/4885ACHE 3644/4885

“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.