SCHEMBL12698653

SCHEMBL12698653

C/C(=N\Nc1ccc(Br)cc1)c1ccc(Br)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GAA P10253 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CASP6 P55212 1/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL903512 0.83 MAPT (0.47) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL14399687 0.80 KMT2A (0.43) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL24731121 0.77 MAPT (0.45) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL24758381 0.76 ALDH2 (0.46) MAPTNPC1POLBMEN1KMT2A
SCHEMBL14404050 0.75 MAPT (0.49) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL14404053 0.75 MAPT (0.49) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL1462528 0.73 RAB9A (0.47) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL2545161 0.73 MAPT (0.45) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL2545164 0.73 MAPT (0.45) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL2545167 0.73 MAPT (0.45) MAPTGAARAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 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-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L MAPT 2414/4885GAA 75/4885RAB9A 390/4885

“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.