SCHEMBL801733 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	FADS1	O60427	2/20	0.42

▸	TRPA1	O75762	8/20	0.40

▸	TRPM8	Q7Z2W7	2/20	0.40

▸	TRPV1	Q8NER1	2/20	0.40

▸	ADRA2A	P08913	2/20	0.37

▸	HSD11B1	P28845	1/20	0.36

▸	AURKB	Q96GD4	2/20	0.36

▸	AURKA	O14965	1/20	0.36

▸	MAPK8	P45983	1/20	0.36

▸	MAPK10	P53779	1/20	0.36

▸	GRM4	Q14833	1/20	0.36

▸	CYP1A2	P05177	1/20	0.36

▸	CYP2D6	P10635	1/20	0.36

▸	CYP2C19	P33261	1/20	0.36

▸	RECQL	P46063	1/20	0.36

▸	LCK	P06239	1/20	0.35

▸	ITK	Q08881	1/20	0.35

▸	USP1	O94782	1/20	0.35

▸	WDR48	Q8TAF3	1/20	0.35

▸	CTNNB1	P35222	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
SCHEMBL802748	0.87	FADS1 (0.42)	FADS1TRPA1TRPM8TRPV1ADRA2A
SCHEMBL14164021	0.82	FADS1 (0.42)	FADS1TRPA1ADRA2AAURKBAURKA
SCHEMBL802405	0.81	EGFR (0.37)	FADS1ADRA2AMAPK8MAPK10CYP1A2
SCHEMBL801725	0.80	GRM4 (0.41)	FADS1TRPA1ADRA2AMAPK8MAPK10
SCHEMBL802362	0.80	FADS1 (0.42)	FADS1TRPA1TRPM8ADRA2AMAPK8
SCHEMBL802411	0.80	CYP1A2 (0.46)	CYP1A2CYP2D6CYP2C19RECQLUSP1
SCHEMBL12619825	0.79	ACP1 (0.41)	FADS1TRPA1TRPM8TRPV1AURKB
SCHEMBL786723	0.79	CYP1A2 (0.45)	FADS1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL10267468	0.78	ACP1 (0.45)	FADS1TRPA1TRPM8TRPV1GRM4
SCHEMBL786785	0.78	CYP1A2 (0.48)	CYP1A2CYP2D6CYP2C19RECQLUSP1

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-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-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	FADS1 1449/4885TRPA1 4368/4885TRPM8 4468/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	FADS1 3442/4885TRPA1 4786/4885TRPM8 4591/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	FADS1 1449/4885TRPA1 4368/4885TRPM8 4468/4885

“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.