SCHEMBL801729 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	TRPA1	O75762	7/20	0.41

▸	FADS1	O60427	2/20	0.39

▸	GRM4	Q14833	1/20	0.38

▸	USP1	O94782	2/20	0.38

▸	WDR48	Q8TAF3	2/20	0.38

▸	ACP1	P24666	1/20	0.37

▸	ADRA2A	P08913	2/20	0.37

▸	AXL	P30530	1/20	0.36

▸	TRPM8	Q7Z2W7	3/20	0.36

▸	MAPK8	P45983	1/20	0.36

▸	MAPK10	P53779	1/20	0.36

▸	CYP1A2	P05177	2/20	0.36

▸	CYP2D6	P10635	2/20	0.36

▸	CYP2C19	P33261	2/20	0.36

▸	USP2	O75604	1/20	0.36

▸	CYP3A4	P08684	1/20	0.36

▸	ALOX15	P16050	1/20	0.36

▸	CASP1	P29466	1/20	0.36

▸	CASP7	P55210	1/20	0.36

▸	TRPV1	Q8NER1	2/20	0.36

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
SCHEMBL802356	0.83	TRPA1 (0.47)	TRPA1FADS1GRM4ADRA2A
SCHEMBL14164064	0.82	FADS1 (0.39)	TRPA1FADS1GRM4ADRA2AMAPK8
SCHEMBL805604	0.81	ACP1 (0.43)	TRPA1FADS1GRM4USP1WDR48
SCHEMBL802410	0.80	USP1 (0.42)	TRPA1FADS1GRM4USP1WDR48
SCHEMBL12620024	0.79	USP1 (0.43)	TRPA1FADS1GRM4USP1WDR48
SCHEMBL802362	0.78	FADS1 (0.42)	TRPA1FADS1GRM4ADRA2AAXL
SCHEMBL802023	0.77	FADS1 (0.46)	TRPA1FADS1GRM4USP1WDR48
SCHEMBL802354	0.77	FADS1 (0.49)	TRPA1FADS1GRM4ADRA2AMAPK8
SCHEMBL12619825	0.77	ACP1 (0.41)	TRPA1FADS1GRM4USP1WDR48
SCHEMBL805550	0.77	USP1 (0.43)	TRPA1FADS1USP1WDR48ACP1

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 17 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-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 4368/4885FADS1 1449/4885GRM4 4253/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	TRPA1 4786/4885FADS1 3442/4885GRM4 3726/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	TRPA1 4368/4885FADS1 1449/4885GRM4 4253/4885

“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.