SCHEMBL16608093

SCHEMBL16608093

C/C=N\C(=C/C=N/C)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LMNA P02545 5/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL19155631 0.84 KDM4E (0.50) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL20697741 0.83 KDM4E (0.43) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL12067918 0.75 KDM4E (0.42) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL21953560 0.72 KDM4E (0.48) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL23046369 0.71 KDM4E (0.44) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL19155573 0.71 CES2 (0.41) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL25876618 0.71 KDM4E (0.44) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL16315797 0.70 KDM4E (0.47) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL21743332 0.70 KDM4E (0.50) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL20903539 0.69 KDM4E (0.42) KDM4EALDH1A1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 — — 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-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885CES2 473/4885

“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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