SCHEMBL5316613

SCHEMBL5316613

NCCn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR6 P50406 2/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL5311352 0.84 MAPT (0.44) MAPTTHRBALDH1A1POLBMEN1
SCHEMBL5313862 0.83 HTR6 (0.45) MAPTTHRBALDH1A1POLBMEN1
SCHEMBL5313939 0.82 MAPT (0.42) MAPTTHRBALDH1A1POLBMEN1
SCHEMBL5666085 0.76 MAPT (0.41) MAPTTHRBALDH1A1POLBMEN1
SCHEMBL1897110 0.75 PARP1 (0.56) MAPTTHRBALDH1A1TP53GAA
SCHEMBL5653705 0.75 P2RX7 (0.42) MAPTTHRBALDH1A1POLBMEN1
SCHEMBL29324209 0.74 HTR6 (0.50) POLBMEN1KMT2AHTR6
SCHEMBL5653666 0.73 MAPT (0.48) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL5654917 0.72 CNR2 (0.43) MAPTTHRBALDH1A1TP53GAA
SCHEMBL5308841 0.71 MPO (0.44) MAPTTHRBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO claimed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US claimed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US 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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR2C, HTR5A, HTR6 MAPT 1263/4885THRB 582/4885ALDH1A1 1743/4885

“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.