SCHEMBL5873033

SCHEMBL5873033

Cc1cc(C)c2[nH]nc(-c3nc(NC(=O)C4CN(Cc5ccccn5)CC[N]4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
CLK2 P49760 2/20 0.33
CLK3 P49761 2/20 0.33
PIM1 P11309 6/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
DNM1L O00429 1/20 0.33
PHGDH O43175 1/20 0.33

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
SCHEMBL5873035 0.82 PHGDH (0.36) DYRK1AWNT1GSK3BROCK2ROCK1
SCHEMBL5872959 0.81 ALDH1A1 (0.42) DYRK1ACLK2CLK3MAPTMAPK1
SCHEMBL5872927 0.75 ALDH1A1 (0.41) DYRK1ACLK2CLK3MAPTMAPK1
SCHEMBL5873016 0.71 KDM4E (0.44) MAPTSMN1; SMN2MAPK1
SCHEMBL5873066 0.71 MEN1 (0.42) DYRK1AWNT1CLK2CLK3
SCHEMBL5873133 0.70 TACR3 (0.42) DYRK1ACLK2CLK3MAPTMAPK1
SCHEMBL5873193 0.70 DYRK1A (0.41) DYRK1AWNT1CLK2CLK3PIM1
SCHEMBL5873067 0.70 MKNK1 (0.43) PIM1
SCHEMBL5769525 0.70 PIM1 (0.41) DYRK1AWNT1CLK2CLK3PIM1
SCHEMBL5767627 0.69 MAP2K4 (0.43) DYRK1AWNT1PIM1

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 DYRK1A 1836/4885WNT1 3712/4885GSK3B 374/4885

“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.