SCHEMBL4454372

SCHEMBL4454372

O=C(NCc1nc2cccnc2[nH]1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.53
TNKS2 Q9H2K2 2/20 0.53
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA5 P22460 3/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAU P00749 1/20 0.44
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.43
KCNK3 O14649 1/20 0.43

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
SCHEMBL30030462 0.83 TNKS (0.50) TNKSTNKS2NAMPTLMNASMN1; SMN2
SCHEMBL13465239 0.82 HCAR2 (0.49) TNKSTNKS2NAMPTLMNASMN1; SMN2
SCHEMBL30103078 0.81 TNKS (0.51) TNKSTNKS2LMNASMN1; SMN2ALDH1A1
SCHEMBL5879697 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL1872957 0.80 HCAR2 (0.69) TNKSTNKS2
SCHEMBL7331804 0.78 L3MBTL1 (0.40) LMNASMN1; SMN2POLBTDP1HTT
SCHEMBL13167384 0.77 HTT (0.48) LMNASMN1; SMN2POLBMAPTHTT
SCHEMBL27185875 0.77 TNKS (0.48) TNKSTNKS2LMNASMN1; SMN2KCNA5
SCHEMBL7416209 0.76 LMNA (0.50) TNKSTNKS2NAMPTLMNASMN1; SMN2
SCHEMBL23508126 0.76 AAK1 (0.49) TNKSTNKS2LMNASMN1; SMN2ALDH1A1

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
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
EP-1960417-B1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20090048283-A1 Salt of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-7365202-B2 Polymorphs of an androgen receptor modulator MERCK & CO., INC. (US) 2008-04-29 US disclosed
US-20070129548-A1 Polymorphs of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2007-06-07 US 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-20070129548-A1 Polymorphs of an androgen receptor modulator SHBG, AR, BRCA1 TNKS 1457/4885TNKS2 1735/4885NAMPT 4001/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 TNKS 1107/4885TNKS2 937/4885NAMPT 930/4885
US-20090048283-A1 Salt of an androgen receptor modulator AR, SHBG, FSHR TNKS 1808/4885TNKS2 2258/4885NAMPT 3080/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 TNKS 1107/4885TNKS2 937/4885NAMPT 930/4885

“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.