SCHEMBL16996964

SCHEMBL16996964

CC(C)CCOc1ncc(C(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ACACB O00763 1/20 0.41
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 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
SCHEMBL18120361 0.82 ACACB (0.39) ACACBRXRAGRIN1GRIN2B
SCHEMBL10203007 0.82 ACACB (0.42) TDP1ACACBMAPK1IDO1GABRP
SCHEMBL26153141 0.80 RXRA (0.35) ACACBIDO1RXRAGRIN1GRIN2B
SCHEMBL10203024 0.78 TDP1 (0.43) TDP1ACACBMAPK1IDO1GABRP
SCHEMBL18994390 0.77 TDP1 (0.44) TDP1ACACBMAPK1IDO1GABRP
SCHEMBL12413771 0.77 ACACB (0.41) TDP1ACACBRXRAGRIN1GRIN2B
SCHEMBL16996967 0.76 GABRP (0.44) TDP1ACACBMAPK1IDO1GABRP
SCHEMBL18501498 0.76 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL10203081 0.76 ACACB (0.39) TDP1ACACBMAPK1IDO1RXRA
SCHEMBL21715681 0.72 HTT (0.54) TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078199-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2021-08-03 US disclosed
US-20190233418-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-08-01 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-20180065960-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-03-08 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
WO-2016191172-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-01 WO disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 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 (6 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-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 TDP1 1414/4885ACACB 661/4885MAPK1 1681/4885
US-11078199-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors FGFR1, FGFR3, FGFR2 TDP1 1689/4885ACACB 1061/4885MAPK1 1699/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 TDP1 1689/4885ACACB 1061/4885MAPK1 1699/4885
US-20190233418-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 TDP1 1689/4885ACACB 1061/4885MAPK1 1699/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 TDP1 1689/4885ACACB 1061/4885MAPK1 1699/4885
US-20180065960-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 TDP1 1689/4885ACACB 1061/4885MAPK1 1699/4885

“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.