SCHEMBL1663645

SCHEMBL1663645

Nc1cccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.97
KMT2A Q03164 4/20 0.97
MAPT P10636 3/20 0.97
GAA P10253 3/20 0.97
POLB P06746 1/20 0.97
TDP1 Q9NUW8 1/20 0.97
L3MBTL1 Q9Y468 1/20 0.97
PARP1 P09874 2/20 0.60
KDM4E B2RXH2 3/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
GNRHR P30968 3/20 0.46
DRD2 P14416 2/20 0.45
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL11835594 0.79 MEN1 (0.64) MEN1KMT2AMAPTGAAPOLB
SCHEMBL8598047 0.79 GAA (0.63) MEN1KMT2AMAPTGAAPOLB
SCHEMBL21894108 0.79 MEN1 (0.63) MEN1KMT2AMAPTGAAPOLB
SCHEMBL9504942 0.79 MEN1 (0.63) MEN1KMT2AMAPTGAAPOLB
SCHEMBL3968268 0.79 MEN1 (0.63) MEN1KMT2AMAPTGAAPOLB
SCHEMBL30989189 0.79 MEN1 (0.63) MEN1KMT2AMAPTGAAPOLB
SCHEMBL7087257 0.76 MAPT (0.59) MEN1KMT2AMAPTGAAPOLB
SCHEMBL2369095 0.76 PARP1 (1.00) MEN1KMT2AMAPTGAAPOLB
SCHEMBL3287778 0.75 MEN1 (0.58) MEN1KMT2AMAPTGAAPOLB
SCHEMBL30291834 0.75 MEN1 (0.58) MEN1KMT2AMAPTGAAPOLB

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 18 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
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP 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
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 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 (4 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885MAPT 2222/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885MAPT 2222/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885MAPT 2222/4885
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 MEN1 1833/4885KMT2A 2469/4885MAPT 2075/4885

“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.