SCHEMBL797910 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA1	P30542	2/20	0.47

▸	ESR2	Q92731	1/20	0.39

▸	DDB1	Q16531	1/20	0.38

▸	CRBN	Q96SW2	1/20	0.38

▸	HDAC1	Q13547	1/20	0.38

▸	HDAC6	Q9UBN7	1/20	0.38

▸	NR1H2	P55055	1/20	0.38

▸	F12	P00748	3/20	0.38

▸	C5AR1	P21730	2/20	0.37

▸	AKR1B10	O60218	1/20	0.35

▸	AKR1B1	P15121	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	PABPC1	P11940	1/20	0.35

▸	ATM	Q13315	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	MAPT	P10636	2/20	0.35

▸	MTOR	P42345	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	PARP1	P09874	1/20	0.34

▸	TNKS2	Q9H2K2	1/20	0.34

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
SCHEMBL5720820	0.89	ADORA1 (0.39)	ADORA1NR1H2F12C5AR1LMNA
SCHEMBL1886210	0.86	ADORA1 (0.52)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL25199915	0.82	ESR2 (0.42)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL19358337	0.80	USP2 (0.36)	ADORA1ESR2DDB1CRBNNR1H2
SCHEMBL22716354	0.79	ADORA1 (0.43)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL30442278	0.79	ESR2 (0.40)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL25211071	0.78	DDB1 (0.41)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL1885657	0.77	F12 (0.57)	ADORA1ESR2NR1H2F12C5AR1
SCHEMBL31699741	0.76	ADORA1 (0.51)	ADORA1ESR2DDB1CRBNHDAC1
SCHEMBL31700133	0.75	ADORA1 (0.50)	ADORA1ESR2DDB1CRBNHDAC1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2615916-B1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MERCK SHARP & DOHME (US)	2017-01-04	—	—	EP	disclosed
EP-2615916-B1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MERCK SHARP & DOHME (US)	2017-01-04	—	—	EP	disclosed
US-9242981-B2	Fused pyrazole derivatives as novel ERK inhibitors	MERCK SHARP & DOHME CORP. (US)	2016-01-26	—	—	US	disclosed
US-9242981-B2	Fused pyrazole derivatives as novel ERK inhibitors	MERCK SHARP & DOHME CORP. (US)	2016-01-26	—	—	US	disclosed
US-9242981-B2	Fused pyrazole derivatives as novel ERK inhibitors	MERCK SHARP & DOHME CORP. (US)	2016-01-26	—	—	US	disclosed
EP-2615916-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	Merck Sharp & Dohme Corp. (US)	2013-07-24	—	—	EP	disclosed
US-20130172341-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MERCK SHARP & DOHME LLC	2013-07-04	—	—	US	disclosed
US-20130172341-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MERCK SHARP & DOHME LLC	2013-07-04	—	—	US	disclosed
US-20130172341-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MERCK SHARP & DOHME LLC	2013-07-04	—	—	US	disclosed
WO-2012036997-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	SCHERING CORPORATION (US)	2012-03-22	—	—	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-20130172341-A1	FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS	MAPK1, MAPK3, MAP3K1	ADORA1 4628/4885ESR2 800/4885DDB1 1696/4885

“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.