SCHEMBL786017 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	11/20	0.61

▸	CYP3A4	P08684	10/20	0.61

▸	CYP2D6	P10635	8/20	0.61

▸	CYP2C19	P33261	8/20	0.61

▸	HSD17B10	Q99714	4/20	0.61

▸	CYP2C9	P11712	3/20	0.61

▸	MAPK1	P28482	3/20	0.61

▸	TDP1	Q9NUW8	2/20	0.61

▸	CLK4	Q9HAZ1	8/20	0.58

▸	ALDH1A1	P00352	6/20	0.58

▸	USP2	O75604	5/20	0.58

▸	MEN1	O00255	4/20	0.58

▸	KMT2A	Q03164	4/20	0.58

▸	LMNA	P02545	3/20	0.58

▸	GBA1	P04062	1/20	0.56

▸	MAPT	P10636	3/20	0.55

▸	TP53	P04637	2/20	0.55

▸	TSHR	P16473	3/20	0.53

▸	GSK3B	P49841	3/20	0.48

▸	AURKA	O14965	2/20	0.48

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
SCHEMBL786854	0.89	CYP1A2 (0.60)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL27592459	0.88	GSK3B (0.48)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL785492	0.88	GSK3B (0.54)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL785448	0.87	MEN1 (0.60)	MEN1KMT2ALMNAMAPTGSK3B
SCHEMBL786175	0.86	CYP1A2 (0.50)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL786375	0.85	USP1 (0.48)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL786844	0.85	CYP1A2 (0.61)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL786402	0.85	GSK3B (0.65)	MEN1KMT2ALMNAMAPTTP53
SCHEMBL786098	0.84	CYP1A2 (0.62)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL786250	0.84	ABCG2 (0.45)	CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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 37 patents — showing the first 20. 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-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-20110224197-A1	PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-09-15	—	—	US	disclosed
US-20110224197-A1	PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-09-15	—	—	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
WO-2009145814-A9	PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-05-14	—	—	WO	disclosed
US-7691853-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-04-06	—	—	US	disclosed
WO-2009145814-A2	PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES	VERTEX PHARMACEUTICALS INCORPORATED (US)	2009-12-03	—	—	WO	disclosed
US-6610677-B2	Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia	VERTEX PHARMACEUTICALS INCORPORATED	2003-08-26	—	—	US	disclosed
EP-1318997-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2003-06-18	—	—	EP	disclosed
EP-1317447-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	Vertex Pharmaceuticals Incorporated (US)	2003-06-11	—	—	EP	disclosed
US-20030083327-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-05-01	—	—	US	disclosed
US-20030078166-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-04-24	—	—	US	disclosed
US-20030073687-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-04-17	—	—	US	disclosed
US-20030064982-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-04-03	—	—	US	disclosed
US-20030055044-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-03-20	—	—	US	disclosed
WO-2002022603-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2002-03-21	—	—	WO	disclosed
WO-2002022607-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2002-03-21	—	—	WO	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 (8 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	CYP1A2 1818/4885CYP3A4 1976/4885CYP2D6 3096/4885
US-20030064982-A1	Pyrazole compounds useful as protein kinase inhibitors	MAP3K20, CDK2, MAP2K2	CYP1A2 2368/4885CYP3A4 1987/4885CYP2D6 1719/4885
US-20030083327-A1	Pyrazole compounds useful as protein kinase inhibitors	AURKC, AURKA, GSK3B	CYP1A2 1526/4885CYP3A4 1790/4885CYP2D6 2880/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	CYP1A2 3042/4885CYP3A4 2929/4885CYP2D6 4165/4885
US-20030055044-A1	Pyrazole compounds useful as protein kinase inhibitors	AURKC, AURKA, GSK3B	CYP1A2 1765/4885CYP3A4 1663/4885CYP2D6 2317/4885
US-20110224197-A1	PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES	GSK3B, CDK3, GSK3A	CYP1A2 4411/4885CYP3A4 3981/4885CYP2D6 3497/4885
US-20030073687-A1	Pyrazole compounds useful as protein kinase inhibitors	AURKC, AURKA, GSK3B	CYP1A2 1780/4885CYP3A4 1614/4885CYP2D6 3196/4885
US-20030078166-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, GSK3A, GSKIP	CYP1A2 997/4885CYP3A4 1312/4885CYP2D6 2151/4885

“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.