SCHEMBL802745 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	DHODH	Q02127	1/20	0.47

▸	AURKA	O14965	8/20	0.46

▸	GSK3B	P49841	4/20	0.46

▸	SRC	P12931	3/20	0.46

▸	AURKB	Q96GD4	7/20	0.43

▸	GSK3A	P49840	2/20	0.41

▸	ITK	Q08881	1/20	0.40

▸	ALK	Q9UM73	1/20	0.38

▸	MEN1	O00255	1/20	0.37

▸	HTT	P42858	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	HSD17B10	Q99714	1/20	0.37

▸	PLK4	O00444	2/20	0.37

▸	PAK4	O96013	2/20	0.37

▸	IGF1R	P08069	1/20	0.36

▸	BRAF	P15056	1/20	0.36

▸	EIF2AK2	P19525	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	FLT4	P35916	1/20	0.35

▸	KDR	P35968	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
SCHEMBL801788	0.88	GSK3B (0.53)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL802391	0.79	DHODH (0.44)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL13055231	0.76	AURKA (0.40)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL902289	0.74	ITK (0.54)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL13663494	0.72	DHODH (0.55)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL13636073	0.71	IGF1R (0.48)	AURKAGSK3BAURKBGSK3AALK
SCHEMBL802363	0.70	AURKA (0.62)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL3860074	0.69	L3MBTL1 (0.68)	AURKAGSK3BSRCAURKBGSK3A
SCHEMBL9820151	0.67	MEN1 (0.65)	DHODHAURKAGSK3BSRCAURKB
SCHEMBL802122	0.67	AURKA (0.49)	AURKAGSK3BSRCAURKBGSK3A

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-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	DHODH 3118/4885AURKA 7/4885GSK3B 1/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	DHODH 4394/4885AURKA 8/4885GSK3B 1/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	DHODH 3118/4885AURKA 7/4885GSK3B 1/4885

“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.