SCHEMBL4065349

SCHEMBL4065349

CNc1nc(C(=O)NCc2ccc(F)cc2)c(OC)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
EGLN1 Q9GZT9 1/20 0.46
CALCA P06881 1/20 0.45
ADORA2A P29274 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ADORA1 P30542 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4064102 0.86 CALCA (0.58) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL4070508 0.82 KMT2A (0.44) KMT2AEGLN1CALCAADORA2ASMN1; SMN2
SCHEMBL13849011 0.80 CALCA (0.52) KMT2AEGLN1CALCAADORA2ASMN1; SMN2
SCHEMBL4066025 0.78 KMT2A (0.43) KMT2ACALCASMN1; SMN2RPS6KB1
SCHEMBL13812901 0.76 CALCA (0.57) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL13848996 0.76 CALCA (0.40) KMT2AEGLN1CALCAADORA2ASMN1; SMN2
SCHEMBL4071746 0.74 KMT2A (0.42) KMT2AEGLN1CALCAADORA2ASMN1; SMN2
SCHEMBL6504246 0.73 CALCA (0.60) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL6490436 0.73 CALCA (0.62) KMT2AEGLN1CALCASMN1; SMN2RPS6KB1
SCHEMBL7263637 0.73 ADORA2A (0.45) KMT2AEGLN1CALCAADORA2AADORA1

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.