SCHEMBL5789657

SCHEMBL5789657

CN(C)C=CC(=O)c1ccnc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
LMNA P02545 5/20 0.57
RAB9A P51151 5/20 0.57
RECQL P46063 2/20 0.57
MAPT P10636 11/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 10/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5789655 1.00 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL5790343 0.83 HTT (0.63) HTTLMNARAB9ARECQLMAPT
SCHEMBL5790340 0.83 HTT (0.63) HTTLMNARAB9ARECQLMAPT
SCHEMBL38657127 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL5760734 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL19139216 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL2438076 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL17320231 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL2438072 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT
SCHEMBL5760737 0.81 HTT (0.61) HTTLMNARAB9ARECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725101-A1 2-PYRIDINYL [7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A] PYRIMIDIN-3-YL] METHANONES DOV Pharmaceutical Inc. (US) 2006-11-29 EP disclosed
US-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones DOV PHARMACEUTICAL, INC. 2005-12-15 US disclosed
WO-2005084439-A1 2-PYRIDINYL[7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]METHANONES DOV PHARMACEUTICAL, INC. (US) 2005-09-15 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 (1 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-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones HTR1A, HTR2B, HTR4 HTT 71/4885LMNA 711/4885RAB9A 3576/4885

“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.