SCHEMBL4066741

SCHEMBL4066741

O=C(NCc1ccccc1)c1ncc2cccnc2c1O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.69
MAPT P10636 1/20 0.53
CALCA P06881 1/20 0.53
FEN1 P39748 1/20 0.52
EGFR P00533 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.48
NSD2 O96028 1/20 0.48

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
SCHEMBL5224738 0.91 EGLN1 (0.57) EGLN1MAPTCALCAFEN1
SCHEMBL4060401 0.90 EGLN1 (0.57) EGLN1MAPTCALCAFEN1EGFR
SCHEMBL4068327 0.89 EGLN1 (0.71) EGLN1KMT2A
SCHEMBL4068615 0.89 EGLN1 (0.55) EGLN1CALCAKMT2A
SCHEMBL4058387 0.88 EGLN1 (0.70) EGLN1FEN1EGFRKMT2A
SCHEMBL5227092 0.86 SMN1; SMN2 (0.51) EGLN1FEN1KMT2A
SCHEMBL4058722 0.86 LMNA (0.59) EGLN1MAPTKMT2A
SCHEMBL4060463 0.85 EGLN1 (0.57) EGLN1MAPTCALCAFEN1
SCHEMBL4063499 0.85 EGLN1 (0.61) EGLN1MAPTFEN1
SCHEMBL4067733 0.85 ADORA2A (0.54) EGLN1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant ROBERTSON SANDRA K (US) 2005-07-28 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
EP-1499391-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AN HIV INTEGRASE INHIBITOR AND A NONIONIC SURFACTANT Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086319-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AN HIV INTEGRASE INHIBITOR AND A NONIONIC SURFACTANT MERCK & CO., INC. (US) 2003-10-23 WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (3 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EGLN1 2027/4885MAPT 2944/4885CALCA 3366/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EGLN1 2027/4885MAPT 2944/4885CALCA 3366/4885
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant CDK7, INTS6, POLA1 EGLN1 2876/4885MAPT 3758/4885CALCA 4164/4885

“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.