SCHEMBL14749465

SCHEMBL14749465

O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.79
ROCK2 O75116 3/20 0.72
FAAH O00519 1/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
HPGD P15428 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
PARP1 P09874 1/20 0.51
GAA P10253 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PANK3 Q9H999 1/20 0.51

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
SCHEMBL6319278 0.95 ROCK1 (0.70) ROCK1ROCK2FAAHKDM4EALDH1A1
SCHEMBL2581551 0.88 ROCK1 (1.00) ROCK1ROCK2FAAHLMNAPARP1
SCHEMBL2560351 0.84 ROCK1 (1.00) ROCK1ROCK2FAAHLMNATRPV1
SCHEMBL2552040 0.81 ROCK1 (1.00) ROCK1ROCK2FAAHALDH1A1LMNA
SCHEMBL9371762 0.77 FAAH (0.62) ROCK1ROCK2FAAHALDH1A1LMNA
SCHEMBL31062733 0.77 KDM4E (0.65) ROCK1KDM4EALDH1A1LMNAMAPT
SCHEMBL12282492 0.76 ROCK1 (0.69) ROCK1ROCK2FAAHLMNAPARP1
SCHEMBL9371439 0.76 FAAH (0.66) ROCK1ROCK2FAAHALDH1A1LMNA
SCHEMBL2586803 0.76 ROCK1 (1.00) ROCK1ROCK2NPC1TP53RAB9A
SCHEMBL2551798 0.76 ROCK1 (1.00) ROCK1ROCK2FAAHALDH1A1LMNA

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-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 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-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885FAAH 3926/4885

“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.