SCHEMBL3604074

SCHEMBL3604074

CC(C)(C)c1ccc(Cn2nccc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.41
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR3 Q99500 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 2/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
CCR9 P51686 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL3605931 0.83 KDM4E (0.44) KDM4EFLT1KDRALDH1A1
SCHEMBL3595251 0.81 HTT (0.49) TEAD1KMT2APOLBKDM4EMEN1
SCHEMBL1613253 0.80 KDM4E (0.62) KMT2APOLBHSP90AA1HSP90AB1KDM4E
SCHEMBL3609829 0.77 PKM (0.49) KMT2APOLBKDM4EALDH1A1LMNA
SCHEMBL3607562 0.77 CYP19A1 (0.50) KMT2APOLBKDM4EMEN1TSHR
SCHEMBL27807343 0.77 NPBWR1 (0.51) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL3604297 0.73 ALDH1A1 (0.46) TEAD1KDM4EFLT1KDRKCNH2
SCHEMBL15824778 0.72 HSD17B10 (0.48) KMT2APOLBKDM4EMEN1TP53
SCHEMBL17310199 0.71 GRM2 (0.53) KMT2AKDM4ETSHRPKMNPSR1
SCHEMBL31358175 0.71 MAPK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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 (6 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885KMT2A 1669/4885POLB 3883/4885

“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.