SCHEMBL5618155

SCHEMBL5618155

c1cnc2[nH]cc(-c3c[nH]c4ncccc34)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.71
IKBKE Q14164 3/20 0.71
PDPK1 O15530 3/20 0.71
TBK1 Q9UHD2 3/20 0.65
AXL P30530 1/20 0.64
GPR84 Q9NQS5 1/20 0.62
CDC7 O00311 4/20 0.62
MAP4K4 O95819 3/20 0.62
PIM1 P11309 3/20 0.62
PRKACA P17612 3/20 0.62
GSK3B P49841 3/20 0.62
CLK4 Q9HAZ1 3/20 0.62
CDK9 P50750 3/20 0.62
CDK5 Q00535 3/20 0.62
CDK2 P24941 2/20 0.62
HIPK2 Q9H2X6 2/20 0.62
ROCK2 O75116 1/20 0.62
IRAK4 Q9NWZ3 1/20 0.62
CCNT1 O60563 1/20 0.62
CCNA2 P20248 1/20 0.62

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
SCHEMBL1050911 0.90 TGFBR1 (0.60) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL12501089 0.87 TGFBR1 (0.63) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL26174482 0.87 DYRK1B (0.63) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL16719379 0.86 TGFBR1 (0.57) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL3740263 0.86 CAMKK2 (0.69) TGFBR1IKBKEPDPK1AXLCDC7
SCHEMBL15397129 0.86 IKBKE (0.78) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL20846162 0.86 AXL (0.64) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL20846051 0.86 RPS6KA5 (0.58) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL20846288 0.86 CAMKK2 (0.60) TGFBR1IKBKEPDPK1TBK1AXL
SCHEMBL858410 0.86 TGFBR1 (0.57) TGFBR1IKBKEPDPK1TBK1AXL

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
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 TGFBR1 3736/4885IKBKE 1390/4885PDPK1 1003/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 TGFBR1 2066/4885IKBKE 120/4885PDPK1 64/4885

“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.