SCHEMBL3499657

SCHEMBL3499657

N[C]1N=c2ccccc2=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL21316061 0.72 MAPT (0.41) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL858858 0.67 MAPT (0.34) CYP3A4ALDH1A1HSD17B10MAPTL3MBTL1
SCHEMBL317892 0.67 MAPT (0.40) SMN1; SMN2ALOX15ALDH1A1KDM4EMAPT
SCHEMBL31436142 0.67 MAPT (0.30) MAPT
SCHEMBL37950 0.67 MEN1 (0.35) SMN1; SMN2ALOX15KDM4EMAPTGAA
SCHEMBL1696827 0.67 ALDH1A1 (0.30) CASP1CASP7ALDH1A1HSD17B10MAPT
SCHEMBL6094001 0.67 MAPT (0.30) MAPT
SCHEMBL7398024 0.67 MAPT (0.39) SMN1; SMN2CYP3A4ALOX15TSHRALDH1A1
SCHEMBL211306 0.67 TSHR (0.39) SMN1; SMN2TSHRALDH1A1HPGDL3MBTL1
SCHEMBL8470132 0.67 MAPT (0.30) MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP claimed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
EP-3137447-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Rgenix, Inc. (US) 2017-03-08 EP disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 WO disclosed
EP-1881549-B1 Electrode for fuel cell and fuel cell employing the electrode SAMSUNG SDI CO LTD (KR) 2016-04-13 EP disclosed
US-8679705-B2 Electrode for fuel cell and fuel cell employing the electrode SAMSUNG SDI CO., LTD. (KR) 2014-03-25 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20080020264-A1 ELECTRODE FOR FUEL CELL AND FUEL CELL EMPLOYING THE ELECTRODE SAMSUNG SDI CO., LTD. (KR) 2008-01-24 US disclosed
EP-1881549-A1 Electrode for fuel cell and fuel cell employing the electrode Samsung SDI Co., Ltd. (KR) 2008-01-23 EP disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 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 (7 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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L CASP1 570/4885CASP7 2471/4885SMN1; SMN2 974/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L CASP1 570/4885CASP7 2471/4885SMN1; SMN2 974/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 CASP1 4727/4885CASP7 3664/4885SMN1; SMN2 2744/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 CASP1 4727/4885CASP7 3664/4885SMN1; SMN2 2744/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L CASP1 570/4885CASP7 2471/4885SMN1; SMN2 974/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 CASP1 4727/4885CASP7 3664/4885SMN1; SMN2 2744/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 CASP1 4727/4885CASP7 3664/4885SMN1; SMN2 2744/4885

“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.