SCHEMBL4688442

SCHEMBL4688442

CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
FSCN1 Q16658 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
SCHEMBL4688507 0.91 SMN1; SMN2 (0.45) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4688394 0.91 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL4692958 0.89 MEN1 (0.47) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL3987831 0.88 MEN1 (0.44) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL14107105 0.87 FSCN1 (0.41) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4689147 0.87 KMT2A (0.53) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL4691908 0.85 PDE3B (0.46) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL4690789 0.84 CRHBP (0.49) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL14129672 0.81 PIK3CA (0.38) ALDH1A1KDM4EHPGDHTTFSCN1
SCHEMBL4326204 0.81 SLC22A2 (0.42) ALDH1A1KDM4EHPGDHTTFSCN1

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
EP-1539714-B1 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
EP-1539714-B1 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7399763-B2 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-07-15 US disclosed
US-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-12-29 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-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors TYMP, TOP1, REV1 ALDH1A1 1715/4885KMT2A 2241/4885MEN1 4574/4885

“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.