SCHEMBL15094758

SCHEMBL15094758

N#Cc1cccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ BRAF P15056 4/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ GRM5 P41594 3/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ GRM4 Q14833 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
SCHEMBL15095046 0.87 MAPT (0.41) MAOAMAOB
SCHEMBL31680549 0.85 MMP2 (0.54) BRAF
SCHEMBL21067860 0.84 KMT2A (0.58) —
SCHEMBL15094744 0.84 KMT2A (0.49) RXFP1
SCHEMBL31125137 0.82 MAPT (0.59) —
SCHEMBL21812212 0.82 MAOA (0.54) MAOAMAOB
SCHEMBL15094666 0.81 RAB9A (0.54) RXFP1
SCHEMBL9589707 0.80 NPC1 (0.49) MAOAMAOB
SCHEMBL1249670 0.80 NPC1 (0.55) RXFP1
SCHEMBL15094761 0.79 BRAF (0.50) BRAFMAOAMAOB

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
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 — — US disclosed
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 — — US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 — — US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 — — US disclosed
EP-2800568-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT University Of South Florida (US) 2014-11-12 — — EP disclosed
WO-2013103760-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-11 — — 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 (3 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA RXFP1 3847/4885MAPK14 4874/4885BRAF 3159/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA RXFP1 3847/4885MAPK14 4874/4885BRAF 3159/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA RXFP1 3847/4885MAPK14 4874/4885BRAF 3159/4885

“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.

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