SCHEMBL15828904

SCHEMBL15828904

Cc1ccc(/C=C2\CCN(CCN)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HDAC1 Q13547 3/20 0.42
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MIF P14174 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ACHE P22303 3/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL15815460 0.83 MAPK1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL15815457 0.83 MAPK1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL15828917 0.76 HDAC1 (0.40) CYP1A2KMT2AMEN1HDAC1MAPT
SCHEMBL15828909 0.74 HDAC1 (0.61) CYP1A2KMT2AMEN1HDAC1MAPK1
SCHEMBL23923069 0.67 CYP1A2 (0.85) CYP1A2KMT2AMEN1MAPTNPC1
SCHEMBL14017013 0.67 CYP1A2 (0.85) CYP1A2KMT2AMEN1MAPTNPC1
SCHEMBL15816860 0.66 MAPK1 (0.74) KMT2AMEN1MAPTNPC1MAOA
SCHEMBL12618482 0.66 MAPK1 (0.74) KMT2AMEN1MAPTNPC1MAOA
SCHEMBL15816861 0.66 MAPK1 (0.74) KMT2AMEN1MAPTNPC1MAOA
SCHEMBL22550766 0.65 ACHE (0.64) CYP1A2KMT2AMEN1MAPTNPC1

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-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 CYP1A2 2245/4885KMT2A 3434/4885MEN1 1957/4885

“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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