SCHEMBL2795017

SCHEMBL2795017

Nc1ccc(CCCF)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
NR1H2 P55055 1/20 0.48
IDO1 P14902 2/20 0.38
KIF11 P52732 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AR P10275 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SRC P12931 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2797579 0.95 GAA (0.48) GAATSHRGLAPOLBNR1H2
SCHEMBL26460616 0.91 GAA (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL2798167 0.89 GAA (0.53) GAATSHRGLAPOLBNR1H2
SCHEMBL11798096 0.84 NR1H2 (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL2795028 0.83 GAA (0.47) GAATSHRGLAPOLBNR1H2
SCHEMBL2793768 0.81 GAA (0.46) GAATSHRGLAPOLBNR1H2
SCHEMBL498104 0.81 S1PR1 (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL545969 0.81 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL2796985 0.81 GAA (0.48) GAATSHRGLAPOLBNR1H2
SCHEMBL5111216 0.80 NR1H2 (0.47) GAATSHRGLAPOLBNR1H2

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 GAA 2689/4885TSHR 1834/4885GLA 3092/4885

“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.