SCHEMBL801725 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GRM4	Q14833	2/20	0.41

▸	NR1H2	P55055	1/20	0.37

▸	NR1H3	Q13133	1/20	0.37

▸	EGFR	P00533	3/20	0.37

▸	TRPA1	O75762	4/20	0.37

▸	MAPK1	P28482	1/20	0.36

▸	FADS1	O60427	2/20	0.35

▸	MAPK8	P45983	1/20	0.35

▸	MAPK10	P53779	1/20	0.35

▸	UTS2R	Q9UKP6	1/20	0.35

▸	CTNNB1	P35222	1/20	0.34

▸	WNT3A	P56704	1/20	0.34

▸	CYP1A2	P05177	2/20	0.34

▸	CYP3A4	P08684	2/20	0.34

▸	CYP2C19	P33261	2/20	0.34

▸	USP2	O75604	1/20	0.34

▸	CLK4	Q9HAZ1	1/20	0.34

▸	ADRA2A	P08913	2/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	ALOX15	P16050	1/20	0.33

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
SCHEMBL13108037	0.86	GRM4 (0.41)	GRM4EGFRTRPA1MAPK1FADS1
SCHEMBL802405	0.84	EGFR (0.37)	EGFRFADS1MAPK8MAPK10CYP1A2
SCHEMBL801734	0.84	GRM4 (0.40)	GRM4NR1H2NR1H3EGFRTRPA1
SCHEMBL801727	0.82	ACP1 (0.40)	GRM4MAPK8MAPK10CYP1A2CYP3A4
SCHEMBL801733	0.80	FADS1 (0.42)	GRM4TRPA1FADS1MAPK8MAPK10
SCHEMBL802748	0.78	FADS1 (0.42)	GRM4TRPA1FADS1MAPK8MAPK10
SCHEMBL802362	0.72	FADS1 (0.42)	GRM4TRPA1FADS1MAPK8MAPK10
SCHEMBL13962719	0.72	GRM4 (0.42)	GRM4EGFRTRPA1MAPK1CYP1A2
SCHEMBL802756	0.72	USP1 (0.41)	GRM4MAPK8MAPK10CYP1A2CYP3A4
SCHEMBL13107360	0.72	GRM4 (0.40)	GRM4EGFRTRPA1MAPK1FADS1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8633210-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2014-01-21	—	—	US	disclosed
US-8633210-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2014-01-21	—	—	US	disclosed
US-8524720-B2	Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2013-09-03	—	—	US	disclosed
US-8524720-B2	Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2013-09-03	—	—	US	disclosed
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-03-22	—	—	US	disclosed
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-03-22	—	—	US	disclosed
US-7951820-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-05-31	—	—	US	disclosed
US-7951820-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-05-31	—	—	US	disclosed
US-20100256170-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-10-07	—	—	US	disclosed
US-7691853-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-04-06	—	—	US	disclosed
US-7691853-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-04-06	—	—	US	disclosed
US-7473691-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2009-01-06	—	—	US	disclosed
US-7390815-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-06-24	—	—	US	disclosed
US-7390815-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-06-24	—	—	US	disclosed
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2007-11-22	—	—	US	disclosed
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2007-11-22	—	—	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 (3 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-20100256170-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, CDK3, GSK3A	GRM4 4253/4885NR1H2 895/4885NR1H3 918/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	GRM4 3726/4885NR1H2 1647/4885NR1H3 1502/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	GRM4 4253/4885NR1H2 895/4885NR1H3 918/4885

“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.