SCHEMBL3963379

SCHEMBL3963379

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 6/20 0.56
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ BRD4 O60885 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ SGK1 O00141 2/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ ATIC P31939 1/20 0.46
▸ MAP2K7 O14733 2/20 0.46
▸ CES1 P23141 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
SCHEMBL3966208 0.93 MAP2K4 (0.56) MAP2K4AURKASGK1MAPK8MAPK10
SCHEMBL3969942 0.91 MAP2K4 (0.54) MAP2K4MAPTAURKAESR1CYP19A1
SCHEMBL3967980 0.91 MAP2K4 (0.62) MAP2K4MEN1KMT2AMAP2K7
SCHEMBL3968870 0.89 MAP2K4 (0.56) MAP2K4MEN1KMT2AMAP2K7
SCHEMBL3968853 0.89 MAP2K4 (0.57) MAP2K4BRD4AURKAMAP2K7
SCHEMBL3971858 0.89 MAP2K4 (0.56) MAP2K4BRD4AURKAESR1CYP19A1
SCHEMBL3966924 0.89 MAP2K4 (0.57) MAP2K4MAPTMEN1KMT2AAURKA
SCHEMBL3973335 0.89 MAP2K4 (0.56) MAP2K4BRD4AURKACYP19A1SGK1
SCHEMBL3968449 0.88 MEN1 (0.53) MAP2K4GAAMEN1KMT2AAURKA
SCHEMBL3965414 0.88 MAP2K4 (0.57) MAP2K4GAAMAPTAURKAMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 MAP2K4 101/4885GAA 3831/4885MAPT 1517/4885

“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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