SCHEMBL10322648

SCHEMBL10322648

Cc1ccc(C(=O)NC(CCN)c2cccc(Cl)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
ROCK2 O75116 3/20 0.47
S1PR3 Q99500 2/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 10/20 0.44
MAPK3 P27361 7/20 0.44
ROCK1 Q13464 2/20 0.44

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
SCHEMBL10320722 0.91 ROCK2 (0.56) DYRK1AROCK2S1PR3S1PR1MAPK1
SCHEMBL10322148 0.89 DYRK1A (0.51) DYRK1ADYRK1BROCK2S1PR3MAPK1
SCHEMBL10324847 0.89 DYRK1A (0.51) DYRK1ADYRK1BROCK2S1PR3MAPK1
SCHEMBL10318762 0.87 TAS1R3 (0.50) DYRK1ADYRK1BROCK2MAPK1ROCK1
SCHEMBL10320709 0.87 TAS1R3 (0.50) DYRK1ADYRK1BROCK2MAPK1ROCK1
SCHEMBL10317811 0.87 TAS1R3 (0.50) DYRK1ADYRK1BROCK2MAPK1ROCK1
SCHEMBL10322647 0.87 DYRK1A (0.48) DYRK1ADYRK1BROCK2S1PR3S1PR1
Trifluoroacetic Acid SCHEMBL10319963 0.81 TAS1R3 (0.45) DYRK1ADYRK1BROCK2MAPK1ROCK1
Trifluoroacetic Acid SCHEMBL10321622 0.81 TAS1R3 (0.45) DYRK1ADYRK1BROCK2MAPK1ROCK1
SCHEMBL22100796 0.81 ROCK2 (0.45) DYRK1ADYRK1BROCK2S1PR3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US claimed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 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 (1 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-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 DYRK1A 1366/4885DYRK1B 2109/4885ROCK2 2638/4885

“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.