SCHEMBL4060740

SCHEMBL4060740

O=C(NCc1ccc(F)cc1)c1nc(I)c2cccnc2c1O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.61
KMT2A Q03164 1/20 0.54
EGLN1 Q9GZT9 3/20 0.48
RPS6KB1 P23443 1/20 0.47
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6490436 0.92 CALCA (0.62) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL7101920 0.87 CALCA (0.60) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL6504246 0.87 CALCA (0.60) CALCAKMT2AEGLN1RPS6KB1SMN1; SMN2
SCHEMBL4059851 0.87 CALCA (0.63) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL4067912 0.86 KMT2A (0.61) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL4067905 0.86 KMT2A (0.61) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL4064102 0.85 CALCA (0.58) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL4067907 0.85 CALCA (0.58) CALCAKMT2AEGLN1RPS6KB1ERCC1
SCHEMBL13812901 0.84 CALCA (0.57) CALCAKMT2AEGLN1RPS6KB1SMN1; SMN2
SCHEMBL4060955 0.84 CALCA (0.57) CALCAKMT2AEGLN1RPS6KB1ERCC1

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 6 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 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

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 CALCA 3366/4885KMT2A 61/4885EGLN1 2027/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885KMT2A 61/4885EGLN1 2027/4885

“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.