SCHEMBL3114045

SCHEMBL3114045

N#CC(c1ccncc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ACHE P22303 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.41
OPRL1 P41146 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9162336 0.88 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL11263177 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ACHEOPRL1
SCHEMBL11259596 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2ACHEKDM4EHSD17B10
SCHEMBL2781893 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL9363512 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL24994428 0.80 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL1019672 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL15797437 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL22854282 0.80 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL7296589 0.80 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350037-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA, S.A. (BE) 2013-01-08 US disclosed
US-20100179124-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2010-07-15 US disclosed
US-4486431-A Cardiotonic use of 4,5-dihydro-6-(4-pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1984-12-04 US disclosed
US-4337253-A 4,5-Dihydro-2-methyl-6-(4-pyridinyl)-3(2H)-pyridazinone and its use as a cardiotonic STERLING DRUG INC. (US) 1982-06-29 US 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-20100179124-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 ALDH1A1 2577/4885SMN1; SMN2 3067/4885ACHE 2497/4885

“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.