SCHEMBL4902552

SCHEMBL4902552

Nc1cc(Cl)cnc1Nc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
EGFR P00533 2/20 0.51
CDC25B P30305 5/20 0.50
CSNK2A1 P68400 2/20 0.50
CDC25A P30304 2/20 0.50
AKR1C3 P42330 1/20 0.50
CDC25C P30307 1/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
RHOA P61586 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TOP2A P11388 1/20 0.47
GAA P10253 1/20 0.47
AURKA O14965 1/20 0.47
MEN1 O00255 1/20 0.46
MAP2K7 O14733 1/20 0.46
NSD2 O96028 1/20 0.46

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
SCHEMBL13730481 0.81 BCL6 (0.53) EGFRALDH1A1KDM4EGAAMEN1
SCHEMBL4907589 0.80 TDP1 (0.57) RAB9ANPC1AKR1C3ALDH1A1POLB
SCHEMBL6798215 0.80 CDC25B (0.57) RAB9ANPC1EGFRCDC25BCDC25A
SCHEMBL2365741 0.77 MEN1 (0.62) RAB9ANPC1EGFRCDC25BCDC25A
SCHEMBL12492176 0.74 AURKA (0.61) RAB9ANPC1EGFRRHOAAURKA
SCHEMBL31240709 0.74 RAB9A (0.63) RAB9ANPC1CDC25BCSNK2A1CDC25A
SCHEMBL23675301 0.73 MAPT (0.51) RAB9ANPC1EGFRCSNK2A1CSNK2A2
SCHEMBL7687919 0.73 AURKA (0.49) EGFRCSNK2A1ALDH1A1POLBGAA
SCHEMBL30038832 0.73 EGFR (0.55) RAB9ANPC1EGFRCSNK2A1CSNK2A2
SCHEMBL28874847 0.73 EGFR (0.55) RAB9ANPC1EGFRCSNK2A1CSNK2A2

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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 RAB9A 3618/4885NPC1 1838/4885EGFR 1090/4885

“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.