SCHEMBL10022335

SCHEMBL10022335

CC(C)c1cn2cc(C(N)=O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
SCN10A Q9Y5Y9 1/20 0.48
DYRK1A Q13627 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL29651924 0.81 CHEK1 (0.41) MCHR1SCN10ADYRK1ACHEK1AURKA
SCHEMBL29651904 0.79 CHEK1 (0.40) MCHR1SCN10ADYRK1ACHEK1AURKA
SCHEMBL10022394 0.79 MCHR1 (0.39) MCHR1SCN10ADYRK1AJAK2CDK9
SCHEMBL10053505 0.79 MCHR1 (0.48) MCHR1DYRK1ACHEK1AURKADAPK3
SCHEMBL30845741 0.77 EGLN1 (0.52) DYRK1ACHEK1AURKADAPK3JAK2
SCHEMBL10311041 0.75 MCHR1 (0.52) MCHR1SCN10ADYRK1ACHEK1AURKA
SCHEMBL10066171 0.75 CHEK1 (0.45) MCHR1DYRK1ACHEK1AURKADAPK3
SCHEMBL14701750 0.75 MCHR1 (0.41) MCHR1SCN10ACDK5KDM4EALDH1A1
SCHEMBL10022336 0.74 NPC1 (0.52) MCHR1SCN10ACDK5KDM4EALDH1A1
SCHEMBL327269 0.74 PTGS1 (0.54) DYRK1ACHEK1AURKADAPK3JAK2

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
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA MCHR1 1342/4885SCN10A 4150/4885DYRK1A 698/4885

“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.