SCHEMBL2943282

SCHEMBL2943282

CCOC(=O)c1cc2cc(C=O)ncc2n1Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOD2 Q9HC29 2/20 0.40
NOD1 Q9Y239 2/20 0.40
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2945848 0.86 ALDH1A1 (0.44) MAPTALDH1A1POLBHTTTDP1
SCHEMBL2950130 0.84 MAPT (0.43) MAPTALDH1A1POLBHTTTDP1
SCHEMBL6018633 0.76 NOD2 (0.45) MAPTALDH1A1POLBHTTTDP1
SCHEMBL3023675 0.73 NOD2 (0.43) MAPTALDH1A1POLBHTTTDP1
SCHEMBL2945150 0.72 PPARG (0.47) ALDH1A1TDP1TSHR
SCHEMBL3622091 0.72 NOD2 (0.47) MAPTALDH1A1POLBHTTTDP1
SCHEMBL2816895 0.72 F10 (0.51) MAPTALDH1A1POLBHTTTDP1
SCHEMBL3619345 0.72 NOD2 (0.52) MAPTALDH1A1POLBHTTMEN1
SCHEMBL2948573 0.71 CCR2 (0.45) ALDH1A1KDM4EHSD17B10PTGDR2
SCHEMBL2815834 0.71 NOD2 (0.51) MAPTALDH1A1POLBHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB MAPT 2334/4885ALDH1A1 794/4885POLB 3/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAPT 2278/4885ALDH1A1 1133/4885POLB 3/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAPT 1998/4885ALDH1A1 1208/4885POLB 3/4885

“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.