SCHEMBL2553941 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK1 known ✓	Q13464	20/20	0.93

▸	ROCK2 known ✓	O75116	17/20	0.93

▸	SGK1	O00141	1/20	0.78

▸	AKT1	P31749	1/20	0.78

▸	GSK3B	P49841	1/20	0.78

▸	LIMK1	P53667	1/20	0.78

▸	TNK2	Q07912	1/20	0.78

▸	DMPK	Q09013	1/20	0.78

▸	MYLK	Q15746	1/20	0.78

▸	CDC42BPA	Q5VT25	1/20	0.78

▸	CYP3A4	P08684	1/20	0.69

▸	PRKACA	P17612	1/20	0.69

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.

Compound	similarity	top predicted	shared targets
SCHEMBL2558208	0.96	ROCK1 (1.00)	ROCK1ROCK2SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL2559843	0.95	ROCK1 (0.98)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2551864	0.91	ROCK1 (0.79)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2554542	0.88	ROCK1 (0.92)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2551860	0.87	ROCK1 (1.00)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2554646	0.87	ROCK1 (1.00)	ROCK1ROCK2
SCHEMBL2557459	0.87	ROCK1 (0.82)	ROCK1ROCK2CYP3A4PRKACA
SCHEMBL12283249	0.87	ROCK1 (1.00)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2554692	0.87	ROCK1 (1.00)	ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2557446	0.86	ROCK1 (1.00)	ROCK1ROCK2SGK1AKT1GSK3B

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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
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.

Patent	Title	Text reads most about	Predicted 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 2/4885SGK1 633/4885

“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.