SCHEMBL2945499

SCHEMBL2945499

CN(C)C=CC(=O)c1cccc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.69
ALDH1A1 P00352 10/20 0.69
HTT P42858 4/20 0.69
GAA P10253 3/20 0.69
HPGD P15428 3/20 0.69
RECQL P46063 2/20 0.66
RAB9A P51151 5/20 0.61
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PBRM1 Q86U86 1/20 0.49
KMT2A Q03164 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
SCHEMBL5946453 0.89 MAPT (0.77) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10291821 0.85 MAPT (0.67) MAPTALDH1A1HTTGAAHPGD
SCHEMBL2944257 0.85 MAPT (0.67) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5646424 0.83 MAPT (0.69) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9728821 0.83 MAPT (0.69) MAPTALDH1A1HTTGAAHPGD
SCHEMBL31229996 0.83 MAPT (0.69) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5646420 0.83 MAPT (0.69) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5800440 0.83 RECQL (0.71) MAPTALDH1A1HTTGAAHPGD
SCHEMBL22449502 0.83 RECQL (0.71) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9728823 0.83 MAPT (0.69) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1562911-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP 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 (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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 MAPT 4554/4885ALDH1A1 4332/4885HTT 3402/4885
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 MAPT 2988/4885ALDH1A1 3261/4885HTT 3229/4885

“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.