SCHEMBL1719677

SCHEMBL1719677

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 9/20 0.57
HPGD P15428 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 4/20 0.57
KDM4E B2RXH2 4/20 0.57
ANO1 Q5XXA6 2/20 0.57
ALOX15 P16050 1/20 0.57
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.49
GCGR P47871 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PDE4B Q07343 2/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL3278029 0.88 GCGR (0.61) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL1719559 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL1719517 0.81 MAPT (0.75) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL1719679 0.80 ALDH1A1 (0.57) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL20248963 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL3947965 0.78 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2648282 0.74 ALDH1A1 (0.68) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL1718759 0.73 BPTF (0.57) ALDH1A1MAPTSMN1; SMN2ALOX15POLB
SCHEMBL2644940 0.73 ADRA2A (0.55) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1719520 0.73 ALDH1A1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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 10 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-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 (2 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

“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.