SCHEMBL433255

SCHEMBL433255

Cc1n[nH]c2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.42
AURKA O14965 2/20 0.41
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 6/20 0.41
CDC7 O00311 1/20 0.40
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40
PAK4 O96013 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCB P05771 1/20 0.40
INSR P06213 1/20 0.40
RET P07949 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
PDK1 Q15118 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL433254 1.00 MAPK1 (0.42) MAPK1AURKAROCK2ROCK1CDC7
SCHEMBL15386630 0.90 ROCK2 (0.39) MAPK1AURKAROCK2ROCK1CDC7
SCHEMBL434156 0.90 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL434157 0.90 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL434008 0.83 KCNK3 (0.40) MAPK1AURKAROCK2ROCK1AURKB
SCHEMBL15385517 0.83 KCNK3 (0.40) MAPK1AURKAROCK2ROCK1AURKB
SCHEMBL10083028 0.82 ROCK2 (0.40) MAPK1AURKAROCK2ROCK1CDC7
SCHEMBL459306 0.82 ROCK2 (0.40) MAPK1AURKAROCK2ROCK1CDC7
SCHEMBL461061 0.82 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL461060 0.82 ROCK2 (0.53) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 MAPK1 1249/4885AURKA 3171/4885ROCK2 1728/4885

“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.