SCHEMBL3116080

SCHEMBL3116080

COc1ccc(CNc2nc(CNC(=O)OCc3ccccc3)nc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.57
SLC2A1 P11166 1/20 0.54
ACHE P22303 3/20 0.53
POLB P06746 2/20 0.51
EGFR P00533 2/20 0.51
NR2F2 P24468 1/20 0.51
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 1/20 0.50
USP1 O94782 1/20 0.49
WDR48 Q8TAF3 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL3118940 0.88 APP (0.59) APPSLC2A1ACHEPOLBEGFR
SCHEMBL3110732 0.86 APP (0.57) APPSLC2A1ACHEPOLBEGFR
SCHEMBL3123122 0.84 APP (0.55) APPSLC2A1ACHEPOLBEGFR
SCHEMBL11561410 0.82 NPC1 (0.65) ACHESMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL27783096 0.82 NPC1 (0.65) ACHESMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL4864671 0.81 APP (0.70) APPSLC2A1ACHEPOLBEGFR
SCHEMBL3110583 0.81 APP (0.70) APPSLC2A1ACHEPOLBEGFR
SCHEMBL3119160 0.81 APP (0.70) APPSLC2A1ACHEPOLBEGFR
SCHEMBL3116085 0.80 TUBB4A (0.53) EGFRTNKSTNKS2TOP2ATOP2B
SCHEMBL4859121 0.80 APP (0.68) APPSLC2A1ACHEPOLBEGFR

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.