SCHEMBL5873029

SCHEMBL5873029

COc1cc(-c2sc(-c3n[nH]c4ccccc34)nc2C)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.43
JAK2 O60674 2/20 0.41
CDK2 P24941 8/20 0.41
CDK4 P11802 7/20 0.41
CCNA2 P20248 7/20 0.41
CCND1 P24385 7/20 0.41
CCND3 P30281 7/20 0.41
KDR P35968 6/20 0.41
CHEK1 O14757 4/20 0.41
FGFR1 P11362 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
IDO1 P14902 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5772793 0.85 JAK2 (0.43) ITKJAK2CDK2CDK4CCNA2
SCHEMBL5872971 0.82 KDM4E (0.44) ITKJAK2CDK2FGFR1IDO1
SCHEMBL5769801 0.82 ITK (0.48) ITKJAK2IDO1KDM4EALDH1A1
SCHEMBL5773591 0.77 JAK2 (0.47) ITKJAK2CDK2CDK4CCNA2
SCHEMBL5774743 0.74 IDO1 (0.43) ITKJAK2KDRFGFR1IDO1
SCHEMBL5872967 0.74 CDK2 (0.59) ITKCDK2CDK4CCNA2CCND1
SCHEMBL5748633 0.71 FGFR1 (0.53) ITKJAK2FGFR1JAK3
SCHEMBL5771063 0.71 LRRK2 (0.54) ITKCDK2CDK4FGFR1KDM4E
SCHEMBL5776631 0.70 IDO1 (0.50) ITKCDK2FGFR1IDO1KDM4E
SCHEMBL5873030 0.69 TDO2 (0.41) JAK2KDRIDO1KDM4EALDH1A1

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 ITK 1969/4885JAK2 4304/4885CDK2 214/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ITK 1969/4885JAK2 4304/4885CDK2 214/4885

“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.