SCHEMBL4812480

SCHEMBL4812480

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccc(F)nc3)c3c2-c2ccc(C(=O)NCc4ccccn4)cc2C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
GSK3B P49841 1/20 0.41
NAMPT P43490 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GCGR P47871 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 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
SCHEMBL4809554 0.85 KMT2A (0.53) CHEK1KMT2AMEN1ROCK2ROCK1
SCHEMBL4820064 0.69 LMNA (0.43) KMT2AMEN1ROCK2ROCK1GSK3B
SCHEMBL4810260 0.67 CNR1 (0.39) ALDH1A1MAPT
SCHEMBL4811632 0.66 CHEK1 (0.74) CHEK1
SCHEMBL4808567 0.66 KDR (0.36) ALDH1A1MAPTGCGRHPGD
SCHEMBL4817027 0.65 KDR (0.38) ROCK2GSK3B
SCHEMBL6786489 0.65 CHEK1 (1.00) CHEK1
SCHEMBL4816427 0.65 HRH1 (0.32) KMT2AMEN1
SCHEMBL4819088 0.64 CASR (0.35) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL4816274 0.63 PTGES (0.37) KMT2AMEN1ALDH1A1TP53MAPT

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 73/4885KMT2A 3073/4885MEN1 1900/4885

“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.