SCHEMBL3964181

SCHEMBL3964181

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 9/20 0.57
▸ ITK Q08881 1/20 0.51
▸ MAP2K4 P45985 6/20 0.50
▸ AURKA O14965 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MAP2K7 O14733 1/20 0.44

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
SCHEMBL3968443 0.92 SGK1 (0.58) SGK1MAP2K4
SCHEMBL3962444 0.91 SGK1 (0.61) SGK1MAP2K4MEN1KMT2AMAPK8
SCHEMBL3967746 0.91 MAP2K4 (0.55) SGK1MAP2K4MAP2K7
SCHEMBL3971235 0.91 SGK1 (0.56) SGK1MAP2K4MAP2K7
SCHEMBL3972626 0.91 MAP2K4 (0.52) SGK1MAP2K4AURKAMEN1KMT2A
SCHEMBL3968444 0.91 MAP2K4 (0.49) SGK1ITKMAP2K4MEN1KMT2A
SCHEMBL3970942 0.88 MAP2K4 (0.56) SGK1MAP2K4MAP2K7
SCHEMBL3964176 0.87 SGK1 (0.52) SGK1ITKMAP2K4MEN1KMT2A
SCHEMBL3968655 0.87 SLC22A12 (0.52) SGK1MAP2K4
SCHEMBL3966336 0.86 SGK1 (0.51) SGK1MAP2K4AURKAMEN1KMT2A

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 SGK1 457/4885ITK 2336/4885MAP2K4 101/4885

“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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