SCHEMBL4070508

SCHEMBL4070508

COc1c(C(=O)NCc2ccc(F)cc2)nc(N(C)C(=O)N(C)C)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
EGLN1 Q9GZT9 1/20 0.43
CALCA P06881 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL4059927 0.88 CALCA (0.54) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL4071746 0.83 KMT2A (0.42) KMT2AEGLN1CALCAADORA2AADORA1
SCHEMBL4065349 0.82 KMT2A (0.48) KMT2AEGLN1CALCAADORA2AADORA1
SCHEMBL14007370 0.79 CALCA (0.54) KMT2AEGLN1CALCAADORA2AADORA1
SCHEMBL29393005 0.79 CALCA (0.54) KMT2AEGLN1CALCAADORA2AADORA1
SCHEMBL4061351 0.79 CALCA (0.55) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL13849011 0.78 CALCA (0.52) KMT2AEGLN1CALCAADORA2ASMN1; SMN2
SCHEMBL13993842 0.75 CALCA (0.55) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL14067666 0.75 ADORA2A (0.41) KMT2AEGLN1ADORA2AADORA1MEN1
SCHEMBL4066344 0.75 CALCA (0.53) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1

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

“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.