SCHEMBL5872992

SCHEMBL5872992

COC(=O)c1nc(-c2n[nH]c3cc(C)ccc23)sc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.48
TTK P33981 1/20 0.43
AXL P30530 1/20 0.43
PIM1 P11309 3/20 0.42
MAP2K7 O14733 1/20 0.42
DYRK1A Q13627 3/20 0.41
WNT1 P04628 2/20 0.41
LRRK2 Q5S007 2/20 0.40
NR4A2 P43354 1/20 0.40
CYP1A2 P05177 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL5775974 0.83 ATAD2 (0.40) DYRK1AWNT1LRRK2NR4A2CYP1A2
SCHEMBL5770570 0.82 NR4A2 (0.38) NR4A2CYP1A2KDM4EALDH1A1
SCHEMBL5872932 0.80 ATAD2 (0.40) PIM1LRRK2NR4A2CYP1A2KDM4E
SCHEMBL5873172 0.78 DYRK1A (0.43) MAP2K4PIM1DYRK1AWNT1
SCHEMBL5771961 0.78 KDM4E (0.55) MAP2K4TTKKDM4EALDH1A1IDO1
SCHEMBL5769485 0.76 NR4A2 (0.38) PIM1NR4A2CYP1A2KDM4EALDH1A1
SCHEMBL5873217 0.76 PIM1 (0.38) PIM1LRRK2CYP1A2KDM4EALDH1A1
SCHEMBL5767627 0.74 MAP2K4 (0.43) MAP2K4PIM1DYRK1AWNT1LRRK2
SCHEMBL5770580 0.74 CDC7 (0.47) CYP1A2KDM4EALDH1A1
SCHEMBL5873062 0.72 CDC7 (0.47) PIM1CYP1A2KDM4EALDH1A1

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 MAP2K4 2844/4885TTK 624/4885AXL 4599/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAP2K4 2844/4885TTK 624/4885AXL 4599/4885

“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.