SCHEMBL4813291

SCHEMBL4813291

O=C(CCl)Nc1ccc2c(c1)Cc1c(I)n[nH]c1-2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.52
PARP1 P09874 4/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.39
NPC1 O15118 1/20 0.39
GSTO1 P78417 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
SCHEMBL4813967 0.81 MAPK1 (0.56) CHEK1PARP1POLBALDH1A1HTT
SCHEMBL4809769 0.77 RAB9A (0.50) CHEK1PARP1RAB9APOLBCASP3
SCHEMBL4809861 0.74 CHEK1 (0.52) CHEK1ALDH1A1
SCHEMBL4809551 0.74 CHEK1 (0.46) CHEK1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4066767 0.73 PARP1 (0.82) PARP1RAB9ACASP3NPC1
SCHEMBL4814814 0.72 PDGFRB (0.50) CHEK1
SCHEMBL4808591 0.72 CHEK1 (0.62) CHEK1
SCHEMBL7698785 0.71 CHEK1 (0.60) CHEK1PARP1
SCHEMBL7698823 0.71 CHEK1 (0.60) CHEK1PARP1
SCHEMBL7092071 0.70 PARP1 (0.62) CHEK1PARP1

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-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 73/4885PARP1 946/4885RAB9A 2364/4885

“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.