SCHEMBL4066388

SCHEMBL4066388

O=C(NCCc1ccc(Cl)cc1)c1ncc2cccnc2c1O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.72
MAPT P10636 2/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 5/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL4058387 0.90 EGLN1 (0.70) EGLN1KMT2AMEN1RAB9ANPC1
SCHEMBL4068327 0.88 EGLN1 (0.71) EGLN1KMT2ACYP1A2CYP2C19
SCHEMBL4066345 0.88 SMN1; SMN2 (0.56) EGLN1KMT2AMEN1RAB9AGAA
SCHEMBL4066916 0.88 EGLN1 (0.61) EGLN1KMT2AMEN1RAB9ANPC1
SCHEMBL4064324 0.85 FEN1 (0.63) EGLN1RAB9A
SCHEMBL4064897 0.84 HIF1A (0.52) EGLN1KMT2AMEN1RAB9ANPC1
SCHEMBL7692316 0.84 EGLN1 (1.00) EGLN1MAPTKMT2AMEN1
SCHEMBL4063499 0.83 EGLN1 (0.61) EGLN1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4060463 0.81 EGLN1 (0.57) EGLN1MAPTNPC1
SCHEMBL4701365 0.79 EGLN1 (0.61) EGLN1MAPTKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US 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-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030931-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 (2 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 2944/4885KMT2A 61/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EGLN1 2027/4885MAPT 2944/4885KMT2A 61/4885

“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.