SCHEMBL4475229

SCHEMBL4475229

COc1cc2[nH]ccc(=O)c2cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.61
CTSL P07711 2/20 0.61
SRD5A1 P18405 1/20 0.52
SRD5A2 P31213 1/20 0.52
ELANE P08246 1/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.46
IMPDH2 P12268 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
NSD2 O96028 1/20 0.45
ABL1 P00519 1/20 0.45
PPARG P37231 1/20 0.45
RIN1 Q13671 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL371638 1.00 CTSV (0.61) CTSVCTSLSRD5A1SRD5A2ELANE
SCHEMBL12663538 0.86 POLB (0.53) CTSVCTSLSRD5A1SRD5A2POLB
SCHEMBL17181447 0.86 KDM4E (0.45) CTSVCTSLALDH1A1IMPDH2KMT2A
SCHEMBL1898553 0.85 CTSV (0.55) CTSVCTSLSRD5A1SRD5A2ELANE
SCHEMBL372048 0.83 IMPDH2 (0.58) ALDH1A1IMPDH2KMT2AMEN1HPGD
SCHEMBL15275124 0.82 IMPDH2 (0.50) CTSVCTSLALDH1A1IMPDH2KMT2A
SCHEMBL7284981 0.82 IMPDH2 (0.50) ALDH1A1IMPDH2KMT2AMEN1HPGD
SCHEMBL7290454 0.82 IMPDH2 (0.50) ALDH1A1IMPDH2KMT2AMEN1HPGD
SCHEMBL1894604 0.82 ALDH1A1 (0.45) CTSVCTSLSRD5A1SRD5A2POLB
SCHEMBL7294056 0.81 IMPDH2 (0.49) CTSVCTSLALDH1A1IMPDH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
EP-1566379-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF Flt3 AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-08-24 EP disclosed
US-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2005-03-03 US disclosed
EP-1447405-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES INHIBITING AUTO-PHOSPHORYLATION OF FIBROBLAST GROWTH FACTOR RECEPTORS KIRIN BEER KABUSHIKI KAISHA (JP) 2004-08-18 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 (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-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors FGFR1, FGFR2, FGFR3 CTSV 3632/4885CTSL 3645/4885SRD5A1 1115/4885
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same FLT3, TYRO3, ABL1 CTSV 1046/4885CTSL 511/4885SRD5A1 4264/4885

“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.