SCHEMBL3908495

SCHEMBL3908495

CC(=O)N1CC(=O)N(Cc2ccc(F)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BRD4 O60885 2/20 0.47
AMPD2 Q01433 1/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.44
NOTUM Q6P988 1/20 0.43
HTT P42858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CASP3 P42574 1/20 0.43
SOS1 Q07889 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
UBE2N P61088 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
SCHEMBL3908491 0.84 CYP1A2 (0.44) KMT2ATSHRMEN1HDAC1HDAC6
SCHEMBL3905855 0.83 CYP1A2 (0.45) KMT2ATSHRMEN1HDAC1HDAC6
SCHEMBL4436008 0.80 BRD4 (0.47) KMT2ATSHRMEN1TP53SMN1; SMN2
SCHEMBL13893718 0.79 BRD4 (0.46) KMT2ATSHRMEN1BRD4MAPT
SCHEMBL14599962 0.78 BRD4 (0.46) KMT2ATSHRMEN1BRD4MAPT
SCHEMBL2797145 0.74 NOTUM (0.47) TSHRHDAC1HDAC6BRD4AMPD2
SCHEMBL19260237 0.74 HDAC6 (0.58) KMT2AMEN1HDAC1HDAC6TP53
SCHEMBL3908071 0.73 CYP1A2 (0.44) KMT2ATSHRMEN1HDAC1HDAC6
SCHEMBL24270340 0.73 KMT2A (0.72) KMT2ATSHRMEN1TP53SMN1; SMN2
SCHEMBL19260245 0.72 HDAC6 (0.71) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
EP-1549315-A4 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-05-23 EP disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 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 (1 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A KMT2A 1270/4885TSHR 4242/4885MEN1 4191/4885

“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.