SCHEMBL4809554

SCHEMBL4809554

COc1ccc(C(c2ccc(OC)cc2)n2nc(I)c3c2-c2ccc(C(=O)NCc4ccccn4)cc2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CHEK1 O14757 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK14 Q16539 1/20 0.42
ADORA2A P29274 2/20 0.41
VNN1 O95497 1/20 0.41
NPC1 O15118 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL4812480 0.85 CHEK1 (0.47) KMT2AMEN1CHEK1ALDH1A1ROCK2
SCHEMBL4814690 0.71 CHEK1 (0.71) KMT2AMEN1CHEK1ALDH1A1ROCK2
SCHEMBL4820064 0.67 LMNA (0.43) KMT2AMEN1ALDH1A1ROCK2ROCK1
SCHEMBL4816427 0.66 HRH1 (0.32) KMT2AMEN1NPC1
SCHEMBL4808567 0.65 KDR (0.36) ALDH1A1HPGDKDM4E
SCHEMBL19473341 0.64 NPC1 (0.68) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL1788936 0.64 KDM4E (0.57) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL9179703 0.64 KMT2A (0.71) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL13947091 0.64 KDM4E (0.70) KMT2AMEN1ROCK2ROCK1HPGD
SCHEMBL13175833 0.63 KMT2A (0.66) KMT2AMEN1ROCK2ROCK1HPGD

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 KMT2A 3073/4885MEN1 1900/4885CHEK1 73/4885

“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.