SCHEMBL802451 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	9/20	0.61

▸	CYP2C19	P33261	8/20	0.61

▸	CYP2D6	P10635	7/20	0.61

▸	CYP3A4	P08684	7/20	0.61

▸	TSHR	P16473	4/20	0.61

▸	MEN1	O00255	3/20	0.61

▸	KMT2A	Q03164	3/20	0.61

▸	ALDH1A1	P00352	3/20	0.61

▸	HSD17B10	Q99714	2/20	0.61

▸	LMNA	P02545	2/20	0.61

▸	KDM4E	B2RXH2	1/20	0.61

▸	TP53	P04637	1/20	0.61

▸	MAPT	P10636	1/20	0.61

▸	CYP2C9	P11712	1/20	0.61

▸	HPGD	P15428	1/20	0.61

▸	RECQL	P46063	1/20	0.61

▸	USP1	O94782	12/20	0.60

▸	WDR48	Q8TAF3	12/20	0.60

▸	CLK4	Q9HAZ1	2/20	0.57

▸	USP2	O75604	3/20	0.55

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
SCHEMBL801823	0.86	PIP4K2C (0.59)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL13107423	0.82	CYP1A2 (0.45)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL802787	0.81	GSK3A (0.67)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL802392	0.81	CYP1A2 (0.60)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL802022	0.81	CYP1A2 (0.63)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL802200	0.80	CYP1A2 (0.59)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL786269	0.80	ACP1 (0.45)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL786653	0.80	ACP1 (0.61)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL801853	0.79	CYP1A2 (0.60)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL10267502	0.78	USP1 (0.58)	CYP1A2CYP2C19CYP2D6CYP3A4TSHR

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-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	CYP1A2 1818/4885CYP2C19 2691/4885CYP2D6 3096/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	CYP1A2 3042/4885CYP2C19 1702/4885CYP2D6 4165/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	CYP1A2 1818/4885CYP2C19 2691/4885CYP2D6 3096/4885

“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.