SCHEMBL6467560

SCHEMBL6467560

COc1cccc(CNC(=O)c2ccc(-c3ccc(-n4cc(NC(N)=O)c(C(N)=O)n4)cc3)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.46
ROCK2 O75116 7/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PRKACA P17612 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PRKX P51817 1/20 0.44
PRKCQ Q04759 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TNIK Q9UKE5 1/20 0.43
APEX1 P27695 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL6470160 0.91 HDAC1 (0.43) TP53MAPTRAB9AKMT2A
SCHEMBL6470445 0.90 CDC7 (0.46) ROCK2TP53MAPTGSK3BCLK4
SCHEMBL6467657 0.89 KMT2A (0.44) ROCK2ALDH1A1GSK3BCLK4KMT2A
SCHEMBL6504428 0.86 PDE10A (0.44) ROCK1ROCK2KDM4EALDH1A1HPGD
SCHEMBL6477607 0.85 HDAC1 (0.42) KDM4EALDH1A1MAPTKMT2A
SCHEMBL6467963 0.83 LMNA (0.42) ALDH1A1HPGDTP53MAPTAURKA
SCHEMBL6470232 0.82 ALOX5AP (0.41) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL6505547 0.82 IRAK4 (0.53) KDM4EUSP2ALDH1A1HPGDTP53
SCHEMBL6504083 0.79 AXL (0.41) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL6467616 0.79 KIF11 (0.43) KDM4EALDH1A1TP53MAPTCYP3A4

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ROCK1 2946/4885ROCK2 2042/4885KDM4E 2424/4885

“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.