SCHEMBL4743403

SCHEMBL4743403

CC1Cn2c3c(c(O)c2C(=O)N1C1CC1)C(=O)N(Cc1ccc(F)cc1)CC3

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 2/20 0.36
KCNH2 Q12809 2/20 0.36
GRIN2B Q13224 1/20 0.36
AKR1B1 P15121 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL4749393 0.89 GRM2 (0.39) GRM2PDE4A
SCHEMBL4744307 0.87 GRM2 (0.38) ALDH1A1POLBLMNAGRM2KCNH2
SCHEMBL4751078 0.85 GRM2 (0.36) ALDH1A1POLBLMNAGRM2KCNH2
SCHEMBL4746618 0.85 GRM2 (0.35) TP53ALDH1A1LMNAGRM2KCNH2
SCHEMBL5126325 0.80 KCNH2 (0.47) TP53ALDH1A1POLBLMNAGRM2
SCHEMBL4744312 0.79 KCNH2 (0.41) ALDH1A1POLBLMNAGRM2KCNH2
SCHEMBL14034176 0.78 GRM2 (0.38) ALDH1A1POLBLMNAGRM2KCNH2
SCHEMBL4750297 0.78 KCNH2 (0.43) TP53ALDH1A1POLBLMNAGRM2
SCHEMBL4743883 0.77 KCNH2 (0.43) TP53ALDH1A1LMNAGRM2KCNH2
SCHEMBL4746817 0.77 AKR1B1 (0.39) ALDH1A1POLBLMNAGRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US claimed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US claimed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP claimed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP TP53 645/4885ALDH1A1 815/4885POLB 20/4885

“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.