SCHEMBL4689238

SCHEMBL4689238

O=C1CNCCN1Cc1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 9/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
DAO P14920 1/20 0.43
HTR2A P28223 1/20 0.43
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRAP1 Q12931 1/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL6123244 0.87 ALDH1A1 (0.47) SOS1ALDH1A1POLBDAOMAPT
SCHEMBL4692001 0.84 MEN1 (0.47) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL2899901 0.82 ALDH1A1 (0.63) ALDH1A1POLBGRM2CYP2C9
Hydrochloric Acid SCHEMBL4767938 0.81 ALDH1A1 (0.61) ALDH1A1POLBGRM2CYP2C9
SCHEMBL15244292 0.80 TP53 (0.49) SOS1MAPT
SCHEMBL4694508 0.80 CYP2C9 (0.67) ALDH1A1POLBHTR2AMAPTCYP2C9
SCHEMBL1337581 0.80 L3MBTL1 (0.59) ALDH1A1POLBHTR2AGRM2CYP2C19
SCHEMBL32889370 0.78 SIGMAR1 (0.54) SOS1ALDH1A1POLB
SCHEMBL13664775 0.77 SMN1; SMN2 (0.48) ALDH1A1POLB
Hydrochloric Acid SCHEMBL3855879 0.76 GRM2 (0.53) ALDH1A1POLBHTR2AGRM2

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-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP 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
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP SOS1 2738/4885ALDH1A1 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.