SCHEMBL4796154

SCHEMBL4796154

Cc1ccc(S(=O)(=O)C(NC=O)c2cccc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
RBM39 Q14498 1/20 0.35
METAP2 P50579 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOB P27338 1/20 0.34
NPY2R P49146 1/20 0.34
GBA1 P04062 1/20 0.34
IDO1 P14902 1/20 0.33
C5AR1 P21730 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL4464947 0.84 CYP19A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL4798346 0.83 KMT2A (0.41) EGFRERBB2CA12CA1CA2
SCHEMBL989351 0.83 NPY2R (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL21797170 0.81 TLR9 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL5741463 0.77 KMT2A (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL22858205 0.76 PTGS2 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL6423000 0.75 TP53 (0.43) EGFRERBB2ALDH1A1LMNA
SCHEMBL16055972 0.75 UTS2R (0.43) EGFRERBB2CA12CA1CA2
SCHEMBL4801050 0.75 RAPGEF4 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL16819842 0.75 HSD17B2 (0.36) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR EGFR 405/4885ERBB2 17/4885CA12 2966/4885

“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.