SCHEMBL3224073

SCHEMBL3224073

c1ccc(/N=C2/CCC/C(=N\c3ccccc3)N2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ IDO1 P14902 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL3224077 1.00 ATM (0.48) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL10896436 0.78 MAPT (0.43) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL11651390 0.78 MAPT (0.43) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL18820390 0.77 GAA (0.42) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL18820266 0.75 GAA (0.41) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL20042575 0.74 NPC1 (0.48) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL3231662 0.69 DDB1 (0.42) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL3231656 0.69 DDB1 (0.42) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL17053451 0.69 ALDH1A1 (0.41) ATML3MBTL1MAPTMEN1KMT2A
SCHEMBL18786507 0.67 ALDH1A1 (0.45) ATML3MBTL1MAPTMEN1KMT2A

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-8084569-B2 Process for the synthesis of diaminopyridines from glutarimidines E.I. DUPONT DE NEMOURS AND COMPANY (US) 2011-12-27 — — US disclosed
US-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES E. I. DU PONT DE NEMOURS AND COMPANY 2010-03-04 — — 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-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES DPYD, GCDH, OGDH ATM 2169/4885L3MBTL1 4024/4885MAPT 1629/4885

“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.

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