SCHEMBL10156028

SCHEMBL10156028

CSc1nc(Nc2cccc(S(=O)(=O)C(F)(F)F)c2)cc(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.43
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BLM P54132 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ RXFP1 Q9HBX9 5/20 0.39
▸ GFER P55789 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TNNI3K Q59H18 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ RECQL P46063 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL10157834 0.84 POLB (0.44) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL10156964 0.84 TNNI3K (0.55) POLBTNNI3KEGFR
SCHEMBL13071118 0.77 RXFP1 (0.41) RXFP1GFERTNNI3KHTR2ATSPO
SCHEMBL10156550 0.75 POLB (0.48) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL10156777 0.72 POLB (0.42) POLBMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL8160226 0.68 POLB (0.48) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL15606412 0.68 P2RX1 (0.49) MEN1KMT2AALDH1A1LMNARXFP1
SCHEMBL10156985 0.68 PIK3CA (0.43) POLBMAPTLMNASMN1; SMN2KDM4E
SCHEMBL30023065 0.68 SYK (0.49) RXFP1TNNI3KP2RX1

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 4590/4885MAPT 3116/4885MEN1 724/4885

“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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