SCHEMBL4121707

SCHEMBL4121707

CCOC(=O)c1cc(CC(C)C)c(-c2cc(CC(C)C)ncn2)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL4102069 0.77 KMT2A (0.39) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL4043097 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL13912894 0.74 KMT2A (0.40) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL13902658 0.70
SCHEMBL4046561 0.70 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL4115884 0.69
SCHEMBL4112444 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL13912895 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL13912896 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL4121710 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069334-A1 Pyridazine based alpha-helix mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069334-A1 Pyridazine based alpha-helix mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20090069334-A1 Pyridazine based alpha-helix mimetics H1-4, H1-5, H1-0 ALDH1A1 3022/4885SMN1; SMN2 4121/4885POLB 631/4885

“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.