SCHEMBL1663646

SCHEMBL1663646

Nc1cccc2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
GAA P10253 3/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
PKM P14618 1/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.39
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL28344139 0.80 NPSR1 (0.55) MAPTGAAPOLBMEN1KMT2A
SCHEMBL9504950 0.79 NPSR1 (0.53) MAPTGAAPOLBMEN1KMT2A
SCHEMBL9502744 0.79 NPSR1 (0.53) MAPTGAAPOLBMEN1KMT2A
SCHEMBL12145773 0.78 NPSR1 (0.55) MAPTGAAPOLBMEN1KMT2A
SCHEMBL10722861 0.76 NPSR1 (0.50) MAPTGAAPOLBMEN1KMT2A
SCHEMBL7087262 0.76 MAPT (0.47) MAPTGAAPOLBMEN1KMT2A
SCHEMBL11835605 0.76 NPSR1 (0.50) MAPTGAAPOLBMEN1KMT2A
SCHEMBL7321877 0.76 PARP1 (0.61) MAPTGAAPOLBMEN1KMT2A
SCHEMBL3287768 0.75 ALDH1A1 (0.52) MAPTGAAPOLBMEN1KMT2A
SCHEMBL6957142 0.75 NPSR1 (0.49) MEN1KMT2AL3MBTL1NPSR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
CN-102171875-A Fuel cell, electronic device and buffer solution for fuel cell SONY CORP 2011-08-31 CN disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths OPTIMER PHOTONICS, INC. 2006-05-18 US disclosed
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6300325-B1 HETEROCYCLIC RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 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 (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-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 MAPT 2075/4885GAA 2647/4885POLB 1617/4885

“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.