SCHEMBL801686 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	TRPA1	O75762	2/20	0.40

▸	GRM4	Q14833	3/20	0.39

▸	FADS1	O60427	2/20	0.38

▸	ADRA2A	P08913	2/20	0.38

▸	CYP1A2	P05177	3/20	0.36

▸	CYP3A4	P08684	3/20	0.36

▸	CLK4	Q9HAZ1	3/20	0.36

▸	ALDH1A1	P00352	2/20	0.36

▸	MAPK1	P28482	2/20	0.36

▸	HSD17B10	Q99714	2/20	0.36

▸	CCNT1	O60563	1/20	0.36

▸	CCNK	O75909	1/20	0.36

▸	CCNE1	P24864	1/20	0.36

▸	CDK2	P24941	1/20	0.36

▸	CDK9	P50750	1/20	0.36

▸	CDK12	Q9NYV4	1/20	0.36

▸	CYP2D6	P10635	2/20	0.35

▸	CYP2C19	P33261	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	USP2	O75604	1/20	0.35

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
SCHEMBL802313	0.82	TRPA1 (0.48)	TRPA1GRM4FADS1ADRA2ACYP1A2
SCHEMBL786787	0.78	CYP1A2 (0.51)	TRPA1FADS1CYP1A2CYP3A4CLK4
SCHEMBL802359	0.75	TRPA1 (0.49)	TRPA1GRM4FADS1ADRA2ACYP1A2
SCHEMBL802315	0.71	GRM4 (0.40)	TRPA1GRM4FADS1CYP1A2CYP3A4
SCHEMBL805606	0.71	GRM4 (0.43)	GRM4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL801728	0.70	FADS1 (0.50)	FADS1CLK4
SCHEMBL801730	0.70	FADS1 (0.45)	FADS1CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL13107559	0.69	GRM4 (0.38)	GRM4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL801735	0.69	CYP1A2 (0.42)	GRM4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL18274872	0.68	TRPA1 (0.57)	TRPA1GRM4FADS1ADRA2ACYP3A4

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 18 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-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-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	TRPA1 4368/4885GRM4 4253/4885FADS1 1449/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	TRPA1 4786/4885GRM4 3726/4885FADS1 3442/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	TRPA1 4368/4885GRM4 4253/4885FADS1 1449/4885

“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.