SCHEMBL5355456

SCHEMBL5355456

COc1ccccc1NCC(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHRM2 P08172 1/20 0.46
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
SCN4A P35499 1/20 0.44
SLC6A2 P23975 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 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
SCHEMBL6327499 0.80 MAPT (0.56) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL16340151 0.79 MAPT (0.51) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL18236653 0.78 CHRM2 (0.53) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL7615058 0.76 CHRM2 (0.51) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL16993930 0.76 MEN1 (0.59) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL21652179 0.76 ABL1 (0.44) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL5352418 0.75 MAPT (0.48) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL11206002 0.75 MAPT (0.50) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL28464337 0.74 MAPT (0.47) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL334451 0.74 MAPT (0.60) MAPTMEN1KMT2ATDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
EP-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 MAPT 1028/4885MEN1 2135/4885KMT2A 1498/4885

“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.