SCHEMBL6640942

SCHEMBL6640942

Nc1nc(NCc2ccccc2F)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.45
▸ VCP P55072 1/20 0.42
▸ PFKFB3 Q16875 2/20 0.41
▸ AGPAT2 O15120 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL6640744 0.88 HRH4 (0.45) AGPAT2HRH4ADORA2AADORA1SMN1; SMN2
SCHEMBL6641552 0.82 EGFR (0.46) EGFRVCPAGPAT2HRH4ADORA3
SCHEMBL6643416 0.82 HRH4 (0.46) AGPAT2HRH4SMN1; SMN2MEN1MAPT
SCHEMBL6640850 0.79 CYP2C19 (0.47) AGPAT2HRH4SMN1; SMN2MAP4K4MEN1
SCHEMBL7114489 0.77 AGPAT2 (0.49) AGPAT2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6640911 0.76 HRH4 (0.48) EGFRVCPHRH4ADORA2AADORA1
SCHEMBL6640292 0.76 EGFR (0.47) EGFRVCPPFKFB3ADORA3ADORA2A
SCHEMBL7114446 0.76 PIK3CA (0.44) AGPAT2HRH4ADORA2AADORA1SMN1; SMN2
SCHEMBL7112022 0.76 HRH4 (0.42) AGPAT2HRH4SMN1; SMN2MEN1MAPT
SCHEMBL6640313 0.75 SMN1; SMN2 (0.50) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2

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 3 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

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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 EGFR 872/4885VCP 1531/4885PFKFB3 744/4885

“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.

Send feedback