SCHEMBL4801323

SCHEMBL4801323

CCOC(=O)c1cc2c(cn1)c(C(O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
RECQL P46063 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL13778768 0.87 POLB (0.45) THRBMAPTKDM4EPOLBALDH1A1
SCHEMBL4806653 0.83 MMP13 (0.39) THRBPOLBCNR2MEN1KMT2A
SCHEMBL4808824 0.81 THRB (0.56) THRBMAPTPOLBALDH1A1HTT
SCHEMBL4807723 0.76 MAOB (0.47) MAPTKDM4EPKMPOLBALDH1A1
SCHEMBL2945382 0.74 MAOB (0.49) MAPTKDM4EPKMPOLBALDH1A1
SCHEMBL2950146 0.71 ALDH1A1 (0.42) THRBMAPTKDM4EALDH1A1GABRA2
SCHEMBL5849866 0.69 CNR2 (0.66) MAPTKDM4EPKMPOLBALDH1A1
SCHEMBL13778770 0.68 POLB (0.48) THRBMAPTPOLBALDH1A1HTT
SCHEMBL2943196 0.67 LMNA (0.41) MAPTKDM4EALDH1A1GABRA2GABRB2
SCHEMBL2950086 0.67 MRGPRX4 (0.46) MAPTPKMPOLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP THRB 3656/4885MAPT 600/4885KDM4E 821/4885

“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.