SCHEMBL10322148

SCHEMBL10322148

NCCC(NC(=O)c1ccc(Cl)c(N)c1)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 8/20 0.46
MAPK3 P27361 6/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
F10 P00742 1/20 0.42
S1PR3 Q99500 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10324847 1.00 DYRK1A (0.51) DYRK1ADYRK1BLMNASMN1; SMN2KDM4E
SCHEMBL10322492 0.91 ROCK2 (0.52) DYRK1ALMNASMN1; SMN2KDM4EMAPK1
SCHEMBL10323131 0.91 ROCK2 (0.52) DYRK1ALMNASMN1; SMN2KDM4EMAPK1
SCHEMBL10324928 0.91 ROCK2 (0.52) DYRK1ALMNASMN1; SMN2KDM4EMAPK1
SCHEMBL10321531 0.89 DYRK1A (0.51) DYRK1ADYRK1BLMNASMN1; SMN2KDM4E
SCHEMBL10322648 0.89 DYRK1A (0.47) DYRK1ADYRK1BMAPK1MAPK3ROCK2
SCHEMBL10322409 0.87 UTS2R (0.57)
SCHEMBL10322147 0.86 DYRK1A (0.51) DYRK1ADYRK1BMAPK1MAPK3ROCK2
SCHEMBL10324846 0.86 DYRK1A (0.51) DYRK1ADYRK1BMAPK1MAPK3ROCK2
SCHEMBL10324549 0.82 ROCK1 (0.56) LMNASMN1; SMN2KDM4EROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
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 (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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD DYRK1A 654/4885DYRK1B 570/4885LMNA 1119/4885
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 DYRK1A 1366/4885DYRK1B 2109/4885LMNA 182/4885

“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.