SCHEMBL13115653

SCHEMBL13115653

Cc1ccc(-c2ccc3c(I)n[nH]c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
GSK3B P49841 1/20 0.48
FGFR1 P11362 3/20 0.47
FGFR2 P21802 2/20 0.47
FGFR3 P22607 1/20 0.47
JAK2 O60674 1/20 0.47
PDPK1 O15530 5/20 0.46
CHEK1 O14757 2/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41

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
SCHEMBL14737362 0.85 ITK (0.50) CHEK1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL30697882 0.85 ITK (0.50) CHEK1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL14397096 0.82 PDPK1 (0.53) ABL1BCRGSK3BFGFR1FGFR2
SCHEMBL6479941 0.81 JAK2 (0.72) ABL1BCRJAK2PDPK1CDK2
SCHEMBL28571815 0.74 PDPK1 (0.73) GSK3BFGFR1FGFR2JAK2PDPK1
SCHEMBL14493350 0.74 MAP2K4 (0.53) CHEK1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL17581420 0.74 JAK2 (0.61) JAK2
SCHEMBL2826429 0.74 NOS1 (0.39) FGFR1FGFR2FGFR3JAK2PDPK1
SCHEMBL30310978 0.72 ITK (0.45) CHEK1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL19188029 0.71 JAK2 (0.57) JAK2PDPK1CDK1CDK2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 ABL1 3157/4885BCR 176/4885GSK3B 4104/4885

“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.