SCHEMBL4810178

SCHEMBL4810178

N#Cc1ccc(-c2n[nH]c3c2Cc2cc(N4CCOCC4)ccc2-3)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.63
MAP4K4 O95819 1/20 0.48
RET P07949 1/20 0.48
PHKG2 P15735 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MARK3 P27448 1/20 0.48
FLT3 P36888 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PRKAA1 Q13131 1/20 0.48
MELK Q14680 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
BRSK1 Q8TDC3 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL4816259 0.86 CHEK1 (0.66) CHEK1
SCHEMBL4808160 0.86 CHEK1 (0.70) CHEK1MAP4K4RETPHKG2RPS6KB1
SCHEMBL4810566 0.85 CHEK1 (0.67) CHEK1
SCHEMBL4816272 0.81 CHEK1 (0.59) CHEK1MAP4K4RETPHKG2RPS6KB1
SCHEMBL4816487 0.78 CHEK1 (0.72) CHEK1AURKB
SCHEMBL6217156 0.78 CHEK1 (0.64) CHEK1
SCHEMBL4812911 0.78 CHEK1 (0.59) CHEK1
SCHEMBL7000603 0.75 KDR (0.72) CHEK1
SCHEMBL4809745 0.74 CHEK1 (0.62) CHEK1
SCHEMBL15312123 0.73 PDGFRB (0.64) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP claimed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US claimed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO claimed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CHEK1 73/4885MAP4K4 67/4885RET 417/4885

“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.