SCHEMBL10156550

SCHEMBL10156550

CSc1nc(Nc2ccc(S(C)(=O)=O)cc2)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.48
▸ PTGS2 P35354 5/20 0.45
▸ PTGS1 P23219 3/20 0.44
▸ TDP1 Q9NUW8 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RECQL P46063 3/20 0.43
▸ BLM P54132 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ FYN P06241 1/20 0.42
▸ TNNI3K Q59H18 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ APEX1 P27695 1/20 0.38

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
SCHEMBL10157157 0.86 ROCK1 (0.50) POLBPTGS2TDP1MEN1KMT2A
SCHEMBL10156704 0.78 ROCK1 (0.45) POLBKMT2AMAPTPKMALDH1A1
SCHEMBL10156964 0.77 TNNI3K (0.55) POLBTNNI3K
SCHEMBL10157834 0.77 POLB (0.44) POLBTDP1MEN1KMT2AMAPT
SCHEMBL10156028 0.75 POLB (0.43) POLBTDP1MEN1KMT2AMAPT
SCHEMBL8160226 0.74 POLB (0.48) POLBTDP1MEN1KMT2AMAPT
SCHEMBL7962176 0.74 UNG (0.57) POLBMAPTLMNA
SCHEMBL10156777 0.73 POLB (0.42) POLBMEN1KMT2APKM
SCHEMBL10156985 0.71 PIK3CA (0.43) POLBMAPTLMNAKDM4E
SCHEMBL10127028 0.71 SYK (0.41) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885PTGS2 4681/4885PTGS1 4651/4885

“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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