SCHEMBL15722708

SCHEMBL15722708

Cc1cc(Nc2cc(C)[nH]n2)nc(S(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ AURKA O14965 5/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ IGF1R P08069 1/20 0.44
▸ ITK Q08881 1/20 0.41
▸ RET P07949 11/20 0.41
▸ DHODH Q02127 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
SCHEMBL12102888 0.87 GSK3B (0.50) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL19833663 0.79 PIK3C3 (0.49) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL343410 0.76 PAK4 (0.54) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL18297024 0.76 PIK3C3 (0.47) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL19364254 0.76 NOS3 (0.50) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL10452895 0.75 BPTF (0.57) —
SCHEMBL15722709 0.74 AURKA (0.56) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL18297007 0.74 AURKA (0.50) PIK3C3AURKAAURKB
SCHEMBL4116079 0.74 PAK4 (0.48) PIK3C3AURKAAURKBIGF1RITK
SCHEMBL63682 0.72 AURKA (0.46) PIK3C3AURKAAURKBIGF1RRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 — — US disclosed
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 — — 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-20140141099-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA PIK3C3 898/4885AURKA 3/4885AURKB 1/4885

“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.

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