SCHEMBL17513632

SCHEMBL17513632

Clc1cc(Cl)cc(CN2CCCC(c3nc4nc(Cl)ccc4[nH]3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.67
ROCK2 O75116 8/20 0.42
ROCK1 Q13464 5/20 0.42
CCR2 P41597 4/20 0.42
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HPGDS O60760 1/20 0.39
DGAT2 Q96PD7 3/20 0.39
POLB P06746 1/20 0.39
PDE2A O00408 1/20 0.38
KAT2B Q92831 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL17513361 1.00 GRIN2B (0.67) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513374 0.92 GRIN2B (0.57) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513360 0.89 GRIN2B (0.67) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513275 0.87 GRIN2B (0.55) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513273 0.87 GRIN2B (0.55) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL19377910 0.87 GRIN2B (0.52) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513307 0.87 GRIN2B (0.52) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513461 0.85 GRIN2B (0.53) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513463 0.85 GRIN2B (0.53) GRIN2BROCK2ROCK1CCR2ALDH1A1
SCHEMBL17513363 0.85 GRIN2B (0.55) GRIN2BROCK2ROCK1CCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 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 (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 1938/4885ROCK2 3338/4885ROCK1 3280/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 GRIN2B 1938/4885ROCK2 3338/4885ROCK1 3280/4885

“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.