SCHEMBL4094131

SCHEMBL4094131

Nc1ncnc2c1ncn2COCCOC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.64
ENPP1 P22413 2/20 0.56
NT5E P21589 1/20 0.55
KDR P35968 3/20 0.53
SRC P12931 1/20 0.53
ADORA2A P29274 3/20 0.52
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ALDH1A1 P00352 1/20 0.48
SLC22A6 Q4U2R8 2/20 0.47
FGFR1 P11362 1/20 0.47
ERBB2 P04626 1/20 0.47
BRAF P15056 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47
ADCY5 O95622 1/20 0.47
FLT4 P35916 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9828030 0.87 P2RX7 (0.52) EGFRENPP1NT5EKDRFGFR1
SCHEMBL11249255 0.86 EGFR (0.46) EGFRENPP1NT5E
SCHEMBL9426463 0.82 ENPP1 (0.61) EGFRENPP1NT5EADORA2API4KA
SCHEMBL11249908 0.81 P2RY11 (0.44) EGFRENPP1NT5EADORA2ALMNA
SCHEMBL9369791 0.81 HDAC1 (0.48)
SCHEMBL11729464 0.80 HDAC1 (0.48)
SCHEMBL8660736 0.79 PNP (0.67) ALDH1A1LMNASMN1; SMN2POLG
SCHEMBL13723744 0.79 ENPP1 (0.57) EGFRENPP1NT5EADORA2API4KA
SCHEMBL11260801 0.78 MEN1 (0.52) EGFRALDH1A1LMNASMN1; SMN2POLG
SCHEMBL13724155 0.78 MEN1 (0.65) EGFRENPP1NT5EADORA2API4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
EP-2001488-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES Alt Solutions, Inc. (US) 2008-12-17 EP disclosed
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 WO 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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases TERT, POLRMT, RNASE1 EGFR 2253/4885ENPP1 214/4885NT5E 523/4885

“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.