SCHEMBL7113452

SCHEMBL7113452

Nc1nc(N[C@H](CO)CSCc2ccccc2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 4/20 0.36
▸ AGPAT2 O15120 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ PIM1 P11309 1/20 0.31
▸ CX3CR1 P49238 2/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL7113448 1.00 CXCR2 (0.36) CXCR2AGPAT2MEN1LMNACYP1A2
SCHEMBL7116366 0.88 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7112017 0.88 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7112015 0.88 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7112533 0.80 CCNC (0.48) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7110100 0.80 CCNC (0.48) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7113529 0.76 HPGDS (0.42) CDK1
SCHEMBL7113526 0.76 HPGDS (0.42) CDK1
SCHEMBL7114577 0.76 AGPAT2 (0.41) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7112022 0.74 HRH4 (0.42) AGPAT2MEN1LMNACYP1A2MAPT

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 CXCR2 2383/4885AGPAT2 4075/4885MEN1 2839/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CXCR2 2383/4885AGPAT2 4075/4885MEN1 2839/4885

“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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