SCHEMBL1879896

SCHEMBL1879896

CNc1cccc(C(=O)C=CN(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.63
ALDH1A1 P00352 11/20 0.63
HTT P42858 4/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 3/20 0.63
RECQL P46063 3/20 0.60
RAB9A P51151 6/20 0.57
LMNA P02545 5/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL1879894 1.00 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10730190 0.85 MAPT (0.60) MAPTALDH1A1HTTGAAHPGD
SCHEMBL523930 0.85 MAPT (0.68) MAPTALDH1A1HTTGAAHPGD
SCHEMBL523929 0.85 MAPT (0.68) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5818378 0.85 RECQL (0.61) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10730194 0.85 MAPT (0.60) MAPTALDH1A1HTTGAAHPGD
SCHEMBL6070988 0.85 RECQL (0.61) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5946453 0.85 MAPT (0.77) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10735227 0.82 MAPT (0.57) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10735224 0.82 MAPT (0.57) MAPTALDH1A1HTTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed
EP-2172460-A1 Compositions useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2010-04-07 EP disclosed
EP-1562911-B1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-01-06 EP disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 US disclosed
EP-1648897-A1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
EP-1562911-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
WO-2005014597-A1 N-[3-(3-SUBSTITUTED-PYRAZOLO[1,5-a]PYRIMIDIN-7-YL)PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO disclosed
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-07-29 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (3 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-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 MAPT 3005/4885ALDH1A1 277/4885HTT 3306/4885
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 MAPT 2988/4885ALDH1A1 3261/4885HTT 3229/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MAPT 4164/4885ALDH1A1 847/4885HTT 2314/4885

“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.