SCHEMBL17513360

SCHEMBL17513360

Clc1cc(Cl)cc(CCN2CCCC(c3nc4nc(Cl)ccc4[nH]3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.67
DGAT2 Q96PD7 4/20 0.38
HTR1A P08908 2/20 0.38
PARP1 P09874 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
ROCK2 O75116 3/20 0.37
CCR2 P41597 2/20 0.37
ROCK1 Q13464 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17513417 0.90 GRIN2B (0.55) GRIN2BDGAT2HTR1APARP1DRD2
SCHEMBL17513632 0.89 GRIN2B (0.67) GRIN2BDGAT2DRD2HTR2AHTR2C
SCHEMBL17513361 0.89 GRIN2B (0.67) GRIN2BDGAT2DRD2HTR2AHTR2C
SCHEMBL17513374 0.81 GRIN2B (0.57) GRIN2BDGAT2DRD2HTR2AHTR2C
SCHEMBL17533778 0.81 GRIN2B (0.75) GRIN2BDGAT2ALDH1A1CYP1A2CYP3A4
SCHEMBL17533781 0.81 GRIN2B (1.00) GRIN2BDGAT2CYP1A2CYP3A4CYP2D6
SCHEMBL17513275 0.79 GRIN2B (0.55) GRIN2BROCK2CCR2ROCK1ALDH1A1
SCHEMBL17513363 0.79 GRIN2B (0.55) GRIN2BROCK2CCR2ROCK1SIGMAR1
SCHEMBL19377814 0.79 GRIN2B (0.55) GRIN2BROCK2CCR2ROCK1SIGMAR1
SCHEMBL17513273 0.79 GRIN2B (0.55) GRIN2BROCK2CCR2ROCK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US claimed
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
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 GRIN2B 1938/4885DGAT2 2308/4885HTR1A 2840/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 GRIN2B 1938/4885DGAT2 2308/4885HTR1A 2840/4885

“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.