SCHEMBL6187010

SCHEMBL6187010

CSc1nc(CF)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 7/20 0.41
TDP1 Q9NUW8 4/20 0.41
NPSR1 Q6W5P4 3/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KDM4E B2RXH2 7/20 0.40
GAA P10253 2/20 0.38
POLB P06746 5/20 0.36
ALDH1A1 P00352 8/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS2 P35228 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 5/20 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
SCHEMBL14270043 0.86 TSHR (0.43) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL6186410 0.83 TSHR (0.45) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL25523392 0.77 MBOAT4 (0.37) TSHRMAPK1L3MBTL1TDP1
SCHEMBL6050373 0.76 L3MBTL1 (0.54) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL3130880 0.75 TSHR (0.42) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL6750105 0.74 L3MBTL1 (0.37) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL12467710 0.73 MEN1 (0.43) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL12466701 0.73 L3MBTL1 (0.43) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL12466679 0.73 L3MBTL1 (0.43) TSHRMAPK1L3MBTL1TDP1NPSR1
SCHEMBL6050289 0.72 L3MBTL1 (0.42) TSHRMAPK1L3MBTL1TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 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 (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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 TSHR 1019/4885MAPK1 951/4885L3MBTL1 1926/4885
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 TSHR 2929/4885MAPK1 1744/4885L3MBTL1 2368/4885

“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.