SCHEMBL3966924

SCHEMBL3966924

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 12/20 0.57
▸ AURKA O14965 1/20 0.45
▸ MAP2K7 O14733 3/20 0.45
▸ KIT P10721 1/20 0.44
▸ AVPR2 P30518 1/20 0.44
▸ GPR27 Q9NS67 1/20 0.44
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL3968943 0.90 MAP2K4 (0.58) MAP2K4AURKAMAP2K7MEN1KMT2A
SCHEMBL3967980 0.89 MAP2K4 (0.62) MAP2K4MAP2K7MEN1KMT2A
SCHEMBL3963379 0.89 MAP2K4 (0.56) MAP2K4AURKAMAP2K7MAPTSGK1
SCHEMBL3966208 0.88 MAP2K4 (0.56) MAP2K4AURKAMAP2K7KITALDH1A1
SCHEMBL3971241 0.87 MAP2K4 (0.48) MAP2K4AURKAMAP2K7MAPT
SCHEMBL3969942 0.87 MAP2K4 (0.54) MAP2K4AURKAMAP2K7LMNAMAPT
SCHEMBL3971461 0.87 MAP2K4 (0.47) MAP2K4SGK1
SCHEMBL3968870 0.85 MAP2K4 (0.56) MAP2K4MAP2K7LMNAALDH1A1MEN1
SCHEMBL3968925 0.85 MAP2K4 (0.57) MAP2K4AURKAMAP2K7
SCHEMBL3971858 0.84 MAP2K4 (0.56) MAP2K4AURKAMAP2K7KITALDH1A1

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 7 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
CN-101243051-A P38 MAP kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN 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 101/4885AURKA 2391/4885MAP2K7 51/4885

“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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