SCHEMBL801705 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	FADS1	O60427	1/20	0.44

▸	KMT2A	Q03164	2/20	0.43

▸	MEN1	O00255	1/20	0.43

▸	CYP1A2	P05177	1/20	0.43

▸	CYP3A4	P08684	1/20	0.43

▸	CYP2D6	P10635	1/20	0.43

▸	MAPT	P10636	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	TDP1	Q9NUW8	1/20	0.43

▸	POLB	P06746	2/20	0.41

▸	HTR2A	P28223	3/20	0.39

▸	PIK3CA	P42336	3/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	IDH2	P48735	1/20	0.38

▸	ROCK1	Q13464	2/20	0.36

▸	GSK3A	P49840	1/20	0.36

▸	GSK3B	P49841	1/20	0.36

▸	ROCK2	O75116	1/20	0.36

▸	HTR7	P34969	1/20	0.36

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
SCHEMBL802305	0.92	FADS1 (0.44)	FADS1HTR2APIK3CAALDH1A1GSK3A
SCHEMBL13108012	0.89	POLB (0.41)	FADS1KMT2APOLBHTR2APIK3CA
SCHEMBL801698	0.85	FADS1 (0.43)	FADS1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL802097	0.83	FADS1 (0.47)	FADS1KMT2AMEN1HTR2AALDH1A1
SCHEMBL801672	0.80	ABCB1 (0.46)	FADS1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12619920	0.79	IDH2 (0.40)	FADS1CYP1A2MAPTHTR2APIK3CA
SCHEMBL801728	0.79	FADS1 (0.50)	FADS1GSK3AGSK3B
SCHEMBL801696	0.78	GSK3A (0.58)	FADS1GSK3AGSK3BPLK4
SCHEMBL802694	0.77	CYP1A2 (0.50)	KMT2ACYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL12619932	0.77	CYP1A2 (0.53)	KMT2ACYP1A2CYP3A4CYP2D6CYP2C19

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	FADS1 1449/4885KMT2A 1376/4885MEN1 2949/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	FADS1 3442/4885KMT2A 1457/4885MEN1 1413/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	FADS1 1449/4885KMT2A 1376/4885MEN1 2949/4885

“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.