SCHEMBL4872301

SCHEMBL4872301

Fc1ccc(-c2cccn3nccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.41
▸ MAPK14 Q16539 5/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 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
▸ GSK3B P49841 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ AXL P30530 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ TDO2 P48775 1/20 0.36

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
SCHEMBL14968989 0.83 ADRA2A (0.40) ALDH1A3NPC1RAB9ACYP11B2KDR
SCHEMBL23143318 0.74 JAK2 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL24548189 0.73 CSNK1D (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL30081468 0.72 MAP4K4 (0.39) MAPK14EGFRKDRAXL
SCHEMBL3231053 0.72 QPCT (0.66) ALDH1A3NPC1RAB9ACYP17A1CYP11B2
SCHEMBL16863348 0.72 MAP4K4 (0.40) AXL
SCHEMBL23337486 0.71 NPC1 (0.42) NPC1RAB9ACYP17A1KDM4EALDH1A1
SCHEMBL15473570 0.70 CYP17A1 (0.46) ALDH1A3MAPK14NPC1RAB9ACYP17A1
SCHEMBL2254333 0.67 JAK2 (0.49) ALDH1A3
SCHEMBL2254342 0.67 JAK2 (0.72) ALDH1A3ADORA1

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-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 — — US disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 — — 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 ALDH1A3 2905/4885MAPK14 106/4885EGFR 1392/4885

“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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