SCHEMBL5873064

SCHEMBL5873064

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)NN4CCCCC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 5/20 0.38
DYRK1A Q13627 5/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 7/20 0.37
MAP2K4 P45985 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL5767627 0.84 MAP2K4 (0.43) WNT1DYRK1AMAP2K4LRRK2KDM4E
SCHEMBL5873067 0.83 MKNK1 (0.43) MAP2K4LRRK2KDM4EALDH1A1PIM1
SCHEMBL5769525 0.83 PIM1 (0.41) WNT1DYRK1ACLK2CLK3MAP2K4
SCHEMBL6505794 0.82 DYRK1A (0.56) WNT1DYRK1A
SCHEMBL5873058 0.82 DYRK1A (0.52) WNT1DYRK1APIM1
SCHEMBL5873213 0.81 DYRK1A (0.40) WNT1DYRK1AKDM4EALDH1A1MAPT
SCHEMBL5872978 0.81 CYP2C9 (0.42) PIM1
SCHEMBL5872886 0.81 NAMPT (0.39) WNT1DYRK1AMAP2K4KDM4EALDH1A1
SCHEMBL5872868 0.80 CYP2C9 (0.40) ALDH1A1PIM1
SCHEMBL5872947 0.80 HCRTR1 (0.43)

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 3 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-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 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 (2 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 WNT1 3712/4885DYRK1A 1836/4885CLK2 2359/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B WNT1 3712/4885DYRK1A 1836/4885CLK2 2359/4885

“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.