SCHEMBL5068935 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PIK3C3	Q8NEB9	7/20	0.45

▸	EGFR	P00533	7/20	0.44

▸	GSK3B	P49841	3/20	0.44

▸	IGF1R	P08069	1/20	0.42

▸	AURKA	O14965	3/20	0.41

▸	SRC	P12931	2/20	0.41

▸	TBK1	Q9UHD2	1/20	0.41

▸	CYP1A2	P05177	2/20	0.40

▸	CYP3A4	P08684	2/20	0.40

▸	CYP2C9	P11712	2/20	0.40

▸	CYP2C19	P33261	2/20	0.40

▸	RAB29	O14966	1/20	0.40

▸	FYN	P06241	1/20	0.40

▸	YES1	P07947	1/20	0.40

▸	LYN	P07948	1/20	0.40

▸	FGFR1	P11362	1/20	0.40

▸	KDR	P35968	1/20	0.40

▸	AURKB	Q96GD4	1/20	0.40

▸	PLK4	O00444	2/20	0.39

▸	AKT1	P31749	1/20	0.39

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
SCHEMBL5070906	0.81	IGF1R (0.38)	PIK3C3EGFRGSK3BIGF1RAURKA
SCHEMBL12431073	0.80	IGF1R (0.42)	PIK3C3EGFRGSK3BIGF1RAURKA
SCHEMBL12431069	0.73	AURKA (0.51)	GSK3BAURKASRCAURKBPLK4
SCHEMBL22917367	0.70	IGF1R (0.60)	PIK3C3GSK3BIGF1RAURKAFYN
SCHEMBL5068309	0.69	AKT1 (0.55)	PIK3C3GSK3BIGF1RAKT1TGFBR1
SCHEMBL5068896	0.67	AKT1 (0.55)	PIK3C3GSK3BIGF1RAKT1TGFBR1
SCHEMBL22917452	0.67	IGF1R (0.56)	PIK3C3GSK3BIGF1RAURKAFYN
SCHEMBL801772	0.66	ITK (0.52)	EGFRGSK3BAURKASRCCYP3A4
SCHEMBL13663479	0.65	SCN9A (0.57)	PIK3C3GSK3BIGF1RAURKASRC
SCHEMBL12430664	0.65	AURKA (0.74)	GSK3BAURKASRCAURKBPLK4

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-20080287444-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2008-11-20	—	—	US	claimed
EP-1345929-B1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMA (US)	2006-05-17	—	—	EP	claimed
JP-2004517927-A	—	—	2004-06-17	—	—	JP	claimed
US-6656939-B2	Anticancer agents; autoimmune diseases	VERTEX PHARMACEUTICALS INCORPORATED	2003-12-02	—	—	US	claimed
EP-1345929-A2	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2003-09-24	—	—	EP	claimed
US-20030004164-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2003-01-02	—	—	US	claimed
WO-2002059112-A2	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2002-08-01	—	—	WO	claimed
US-20140187772-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2014-07-03	—	—	US	disclosed
US-20140187772-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2014-07-03	—	—	US	disclosed
US-20130096128-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2013-04-18	—	—	US	disclosed
US-20130096128-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2013-04-18	—	—	US	disclosed
US-8304414-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-11-06	—	—	US	disclosed
US-8304414-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-11-06	—	—	US	disclosed
US-20080287444-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2008-11-20	—	—	US	disclosed
US-20080287444-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED	2008-11-20	—	—	US	disclosed
US-7427681-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-09-23	—	—	US	disclosed
US-7427681-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-09-23	—	—	US	disclosed
US-20040096747-A1	Electrolyte solution for electrochemical cells	EPCOS AG (DE)	2004-05-20	—	—	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 (4 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-20130096128-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	AURKC, AURKA, CDK3	PIK3C3 306/4885EGFR 935/4885GSK3B 4/4885
US-20030004164-A1	Pyrazole compounds useful as protein kinase inhibitors	AURKC, AURKA, GSK3B	PIK3C3 288/4885EGFR 1081/4885GSK3B 3/4885
US-20140187772-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	AURKC, AURKA, CDK3	PIK3C3 306/4885EGFR 935/4885GSK3B 4/4885
US-20080287444-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	AURKC, AURKA, CDK3	PIK3C3 306/4885EGFR 935/4885GSK3B 4/4885

“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.