SCHEMBL3968853

SCHEMBL3968853

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 10/20 0.57
▸ MAP2K7 O14733 2/20 0.52
▸ BRD4 O60885 1/20 0.51
▸ PGR P06401 4/20 0.50
▸ AURKA O14965 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ PKM P14618 1/20 0.48

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 0.91 MAP2K4 (0.56) MAP2K4MAP2K7AURKAKDR
SCHEMBL3967750 0.90 MAP2K4 (0.56) MAP2K4MAP2K7AURKA
SCHEMBL3966505 0.90 MAP2K4 (0.56) MAP2K4MAP2K7AURKA
SCHEMBL3971863 0.90 MAP2K4 (0.66) MAP2K4MAP2K7
SCHEMBL3963379 0.89 MAP2K4 (0.56) MAP2K4MAP2K7BRD4AURKA
SCHEMBL3968870 0.88 MAP2K4 (0.56) MAP2K4MAP2K7PKM
SCHEMBL3968943 0.87 MAP2K4 (0.58) MAP2K4MAP2K7PGRAURKA
SCHEMBL3966079 0.87 MAP2K4 (0.57) MAP2K4MAP2K7PGRAURKAKDR
SCHEMBL3968688 0.87 MAP2K4 (0.57) MAP2K4MAP2K7BRD4PGRAURKA
SCHEMBL4215522 0.87 MAP2K4 (0.55) MAP2K4MAP2K7BRD4PGRAURKA

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 8 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
EP-1919877-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP 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
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO 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 101/4885MAP2K7 51/4885BRD4 1764/4885

“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.

Send feedback