SCHEMBL2797059

SCHEMBL2797059

Nc1cc(OCC(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SCN9A Q15858 4/20 0.43
▸ SOD1 P00441 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ MGLL Q99685 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL13400000 0.82 ALDH1A1 (0.57) ALDH1A1MAPTSCN9ASOD1TSHR
SCHEMBL2797613 0.80 MAPT (0.78) ALDH1A1MAPTSCN9ASOD1TSHR
SCHEMBL21916107 0.79 SCN9A (0.40) SCN9ASOD1
SCHEMBL6352538 0.79 MAPT (0.53) ALDH1A1MAPTSCN9ASOD1TSHR
SCHEMBL23061347 0.77 SCN9A (0.41) ALDH1A1SCN9ASOD1
SCHEMBL27632817 0.76 SCN9A (0.42) ALDH1A1MAPTSCN9ANR2E1
SCHEMBL27632839 0.76 SCN9A (0.42) ALDH1A1MAPTSCN9ANR2E1
SCHEMBL1603516 0.76 MAPT (0.50) ALDH1A1MAPTSCN9ASOD1TSHR
SCHEMBL5866793 0.76 MAPT (0.50) ALDH1A1MAPTSCN9ASOD1TSHR
SCHEMBL1264065 0.76 ALDH1A1 (0.50) ALDH1A1MAPTSCN9ASOD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921078-B1 MULTIKINASE INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-09 — — EP disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
EP-1921078-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-14 — — EP disclosed
EP-1921078-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-14 — — EP 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-20100168430-A1 MULTIKINASE INHIBITOR REN, RAF1, CHUK ALDH1A1 2482/4885MAPT 3296/4885SCN9A 3009/4885

“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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