SCHEMBL4691908

SCHEMBL4691908

CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(F)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GNRHR P30968 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4689147 0.88 KMT2A (0.53) PDE3BPDE3ALMNAKMT2AMEN1
SCHEMBL3987831 0.88 MEN1 (0.44) PDE3BPDE3ALMNAKMT2AMEN1
SCHEMBL4690789 0.88 CRHBP (0.49) PDE3BPDE3ALMNAKMT2AMEN1
SCHEMBL4688394 0.87 ALDH1A1 (0.45) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL14107108 0.87 MAOB (0.41) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4688442 0.85 ALDH1A1 (0.41) PDE3BPDE3AKMT2AMEN1SMN1; SMN2
SCHEMBL4688507 0.83 SMN1; SMN2 (0.45) LMNAP2RY12KMT2AMEN1SMN1; SMN2
SCHEMBL4692958 0.83 MEN1 (0.47) PDE3BPDE3ALMNAKMT2AMEN1
SCHEMBL14107111 0.78 P2RX7 (0.46) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14107106 0.77 MEN1 (0.53) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1

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
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-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 PDE3B 2098/4885PDE3A 1151/4885LMNA 4496/4885

“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.