SCHEMBL2560360

SCHEMBL2560360

O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 1.00
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
MAPT P10636 1/20 0.83
MAPK1 P28482 1/20 0.83
RECQL P46063 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
PSMD14 O00487 1/20 0.77
AGTR1 P30556 1/20 0.71
APOBEC3G Q9HC16 1/20 0.71
ROCK2 O75116 8/20 0.61
HTT P42858 1/20 0.61
PRKACA P17612 2/20 0.58
LMNA P02545 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL2557059 0.85 ROCK1 (1.00) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL2559907 0.83 ROCK1 (1.00) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL13357589 0.82 ROCK1 (0.74) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL10809273 0.80 LMNA (0.82) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL24232977 0.80 ROCK1 (0.76) ROCK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5025258 0.78 ROCK1 (0.64) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL2753565 0.78 ROCK1 (0.64) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL3238723 0.76 HDAC1 (0.61) ROCK1MAPK1SMN1; SMN2PRKACALMNA
SCHEMBL2557279 0.76 ROCK1 (1.00) ROCK1ROCK2PRKACA
SCHEMBL4743979 0.76 ROCK1 (0.87) ROCK1MEN1KMT2AMAPTMAPK1

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 8 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
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 1/4885MEN1 2995/4885KMT2A 2912/4885

“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.