SCHEMBL2694477

SCHEMBL2694477

N#Cc1ccc(N2C[C@@H]3[C@@H](N)[C@@H]3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DPP4 P27487 3/20 0.46
▸ DPP8 Q6V1X1 3/20 0.46
▸ DPP9 Q86TI2 3/20 0.46
▸ DPP7 Q9UHL4 3/20 0.46
▸ PREP P48147 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ PANK3 Q9H999 4/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ SMO Q99835 2/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL2694481 1.00 KDM4E (0.47) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL2694479 1.00 KDM4E (0.47) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL4757514 1.00 KDM4E (0.47) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL4898809 1.00 KDM4E (0.47) KDM4EALDH1A1L3MBTL1DPP4DPP8
Trifluoroacetic Acid SCHEMBL2694917 0.87 DPP4 (0.59) DPP4DPP8DPP9DPP7PREP
Trifluoroacetic Acid SCHEMBL2694915 0.87 DPP4 (0.59) DPP4DPP8DPP9DPP7PREP
SCHEMBL16718810 0.87 KDM4E (0.50) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL22754620 0.82 JAK1 (0.46) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL29940306 0.81 KDM4E (0.50) KDM4EALDH1A1L3MBTL1DPP4DPP8
SCHEMBL16478649 0.81 KDM4E (0.54) KDM4EALDH1A1L3MBTL1GPR119CHRM4

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 — — 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 KDM4E 676/4885ALDH1A1 2042/4885L3MBTL1 4872/4885

“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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