SCHEMBL2551798

SCHEMBL2551798

O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 1.00
MAPT P10636 5/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 3/20 0.67
CLK1 P49759 1/20 0.67
MCL1 Q07820 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ROCK2 O75116 3/20 0.65
TSHR P16473 4/20 0.57
TP53 P04637 3/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 7/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 4/20 0.53
MAPK1 P28482 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
USP2 O75604 2/20 0.53

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
SCHEMBL2560351 0.79 ROCK1 (1.00) ROCK1MEN1KMT2AHSD17B10ROCK2
SCHEMBL2552040 0.76 ROCK1 (1.00) ROCK1MAPTPOLBCLK1ROCK2
SCHEMBL14749465 0.76 ROCK1 (0.79) ROCK1MAPTHSD17B10ROCK2TSHR
SCHEMBL2581551 0.74 ROCK1 (1.00) ROCK1ROCK2LMNAFAAHPRKACA
SCHEMBL2586803 0.73 ROCK1 (1.00) ROCK1ROCK2TP53NPC1RAB9A
SCHEMBL9371439 0.73 FAAH (0.66) ROCK1MAPTMEN1KMT2AHSD17B10
SCHEMBL9374001 0.73 LMNA (0.78) ROCK1MAPTMEN1KMT2AHSD17B10
SCHEMBL17107189 0.73 RAB9A (1.00) MAPTMEN1KMT2APOLBCLK1
SCHEMBL9371263 0.73 NPC1 (0.68) ROCK1MAPTMEN1KMT2AHSD17B10
SCHEMBL12282675 0.72 ROCK1 (0.56) ROCK1KMT2APOLBHSD17B10TSHR

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-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-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
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
WO-2011130740-A2 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) 2011-10-20 WO 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 1/4885MAPT 117/4885MEN1 2995/4885

“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.