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SCHEMBL12023906

SCHEMBL12023906

OCCN(CCO)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ MAP3K20 Q9NYL2 2/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ FRK P42685 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ CSNK1A1 P48729 1/20 0.55
▸ CSNK1D P48730 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ CSNK1G2 P78368 1/20 0.55
▸ PRKCD Q05655 1/20 0.55
▸ ERBB4 Q15303 1/20 0.55
▸ MINK1 Q8N4C8 1/20 0.55
▸ PRKD2 Q9BZL6 1/20 0.55
▸ CSNK1G1 Q9HCP0 1/20 0.55
▸ CSNK1G3 Q9Y6M4 1/20 0.55
▸ BRAF P15056 16/20 0.54
▸ RAF1 P04049 10/20 0.54
▸ EGFR P00533 2/20 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
SCHEMBL12023903 0.91 FGFR1 (0.54) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023963 0.91 BRAF (0.52) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023917 0.85 MAPK8 (0.52) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL13071343 0.82 PRKD3 (0.53) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023408 0.80 PRKD3 (0.55) MAPK8MAP3K20PRKD3MAP4K4FRK
SCHEMBL14392171 0.79 TEK (0.63) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023941 0.78 BRAF (0.59) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023935 0.78 FGFR1 (0.50) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL13071837 0.78 PRKD3 (0.48) FGFR1MAPK8MAP3K20PRKD3MAP4K4
SCHEMBL12023259 0.77 BRAF (0.52) FGFR1MAPK8MAP3K20PRKD3MAP4K4

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-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 — — US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 — — US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 — — US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 — — US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 — — US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 — — 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 (2 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 FGFR1 693/4885MAPK8 2/4885MAP3K20 14/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 FGFR1 683/4885MAPK8 3/4885MAP3K20 13/4885

“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.