SCHEMBL7112022

SCHEMBL7112022

Nc1nc(NCC(O)Cc2ccccc2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.42
▸ AGPAT2 O15120 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.37
▸ TPH1 P17752 2/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL6641556 0.86 AGPAT2 (0.42) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL7116366 0.82 TPH1 (0.39) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL7112017 0.82 TPH1 (0.39) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL7112015 0.82 TPH1 (0.39) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL6640744 0.78 HRH4 (0.45) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL6640850 0.77 CYP2C19 (0.47) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL6641552 0.77 EGFR (0.46) HRH4AGPAT2SMN1; SMN2CDK2
SCHEMBL6643416 0.76 HRH4 (0.46) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL6640942 0.76 EGFR (0.45) HRH4AGPAT2SMN1; SMN2MEN1LMNA
SCHEMBL7112533 0.76 CCNC (0.48) HRH4AGPAT2SMN1; SMN2MEN1LMNA

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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 — — US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 — — 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 (2 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 HRH4 1390/4885AGPAT2 4075/4885SMN1; SMN2 2397/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 HRH4 1390/4885AGPAT2 4075/4885SMN1; SMN2 2397/4885

“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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