SCHEMBL1719679

SCHEMBL1719679

CC(C)(C)C1CCc2c(sc(N)c2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 8/20 0.57
HPGD P15428 7/20 0.57
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 4/20 0.57
ALOX15 P16050 3/20 0.57
ANO1 Q5XXA6 2/20 0.57
BPTF Q12830 3/20 0.51
GAA P10253 5/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL2648374 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL20248963 0.85 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL1719562 0.80 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL1719677 0.80 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL8290455 0.80 MAPT (0.64) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL3947635 0.77 BPTF (0.56) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL20254477 0.77 PTPN5 (0.53) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL5897234 0.75 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL24862470 0.75 BPTF (0.62) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL12882448 0.74 BPTF (0.49) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
US-10253035-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-04-09 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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 (4 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 ALDH1A1 2830/4885MAPT 3256/4885HPGD 854/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC ALDH1A1 1944/4885MAPT 3866/4885HPGD 1603/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 ALDH1A1 1232/4885MAPT 4313/4885HPGD 966/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 ALDH1A1 1232/4885MAPT 4313/4885HPGD 966/4885

“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.