SCHEMBL5873035

SCHEMBL5873035

Cc1cc(C)c2[nH]nc(-c3nc(NN4CCN(Cc5ccccn5)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.36
MAP2K4 P45985 1/20 0.34
PIM1 P11309 7/20 0.33
DYRK1A Q13627 4/20 0.33
CLK2 P49760 3/20 0.33
CLK3 P49761 3/20 0.33
HRH1 P35367 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
TACR3 P29371 1/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL5872959 0.87 ALDH1A1 (0.42) PHGDHDYRK1ACLK2CLK3KDM4E
SCHEMBL5873033 0.82 DYRK1A (0.34) PHGDHPIM1DYRK1ACLK2CLK3
SCHEMBL5872927 0.80 ALDH1A1 (0.41) DYRK1ACLK2CLK3SRPK1KDM4E
SCHEMBL5873066 0.75 MEN1 (0.42) DYRK1ACLK2CLK3KDM4EALDH1A1
SCHEMBL5873016 0.75 KDM4E (0.44) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL5873133 0.74 TACR3 (0.42) DYRK1ACLK2CLK3KDM4EALDH1A1
SCHEMBL5873193 0.73 DYRK1A (0.41) MAP2K4PIM1DYRK1ACLK2CLK3
SCHEMBL5873067 0.73 MKNK1 (0.43) MAP2K4PIM1KDM4EALDH1A1
SCHEMBL5769525 0.73 PIM1 (0.41) MAP2K4PIM1DYRK1ACLK2CLK3
SCHEMBL5873064 0.72 WNT1 (0.38) MAP2K4PIM1DYRK1ACLK2CLK3

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PHGDH 408/4885MAP2K4 2844/4885PIM1 1909/4885

“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.