SCHEMBL3604297

SCHEMBL3604297

FC(F)(F)Oc1ccc(Cn2nccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TEAD1 P28347 2/20 0.45
HTR2C P28335 1/20 0.45
KCNN3 Q9UGI6 1/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CHRM5 P08912 1/20 0.40
SCN5A Q14524 2/20 0.40
GRM2 Q14416 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PPARG P37231 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1491072 0.83 KDM4E (0.58) ALDH1A1TSHRTEAD1HTR2CKCNN3
SCHEMBL27807343 0.80 NPBWR1 (0.51) ALDH1A1KDM4E
SCHEMBL3605931 0.80 KDM4E (0.44) ALDH1A1HTR2CPPARDPPARAFLT1
SCHEMBL3609829 0.77 PKM (0.49) ALDH1A1GRM2KDM4E
SCHEMBL15242959 0.76 ALDH1A1 (0.49) ALDH1A1TSHRTEAD1HTR2CPPARD
SCHEMBL30826326 0.76 ALDH1A1 (0.51) ALDH1A1TSHRTEAD1HTR2CCHRM5
SCHEMBL15242981 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTEAD1HTR2CPPARD
SCHEMBL3595251 0.74 HTT (0.49) ALDH1A1TEAD1KDM4E
SCHEMBL3607562 0.73 CYP19A1 (0.50) ALDH1A1TSHRGRM2KDM4E
SCHEMBL3604074 0.73 TEAD1 (0.41) ALDH1A1TSHRTEAD1FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
CN-1809559-B Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP 2010-06-02 CN disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
CN-1809559-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2006-07-26 CN disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 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 (7 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 ALDH1A1 2469/4885TSHR 3305/4885TEAD1 1762/4885
US-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 515/4885TSHR 2407/4885TEAD1 1999/4885

“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.