SCHEMBL6641552

SCHEMBL6641552

Nc1nc(NCc2cccc(F)c2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ APP P05067 2/20 0.43
▸ CCNT1 O60563 3/20 0.42
▸ VCP P55072 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ AGPAT2 O15120 2/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ STIM1 Q13586 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
SCHEMBL6640292 0.85 EGFR (0.47) EGFRSMN1; SMN2APPVCPROCK2
SCHEMBL6640942 0.82 EGFR (0.45) EGFRHRH4SMN1; SMN2VCPMAP4K4
SCHEMBL6640911 0.80 HRH4 (0.48) EGFRHRH4APPVCPCLK4
SCHEMBL6640744 0.78 HRH4 (0.45) HRH4SMN1; SMN2PIM1ADORA2AADORA1
SCHEMBL6640850 0.78 CYP2C19 (0.47) HRH4SMN1; SMN2ROCK2MAP4K4PIM1
SCHEMBL7112022 0.77 HRH4 (0.42) HRH4SMN1; SMN2CDK2AGPAT2
SCHEMBL6643416 0.75 HRH4 (0.46) HRH4SMN1; SMN2CDK2AGPAT2CDK9
SCHEMBL6641556 0.74 AGPAT2 (0.42) HRH4SMN1; SMN2PIM1CDK2AGPAT2
SCHEMBL7113683 0.74 TLR8 (0.43) HRH4SMN1; SMN2CDK2AGPAT2
SCHEMBL7114489 0.74 AGPAT2 (0.49) SMN1; SMN2PIM1CDK2AGPAT2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 — — EP claimed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 — — WO claimed
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 EGFR 872/4885HRH4 1390/4885SMN1; SMN2 2397/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 EGFR 872/4885HRH4 1390/4885SMN1; 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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