SCHEMBL802115 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GRM4	Q14833	3/20	0.40

▸	PLK1	P53350	1/20	0.39

▸	NTRK1	P04629	1/20	0.38

▸	PIM1	P11309	1/20	0.38

▸	CDK1	P06493	2/20	0.37

▸	KDR	P35968	2/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	CDK5	Q00535	2/20	0.35

▸	CDK5R1	Q15078	2/20	0.35

▸	CCNB2	O95067	1/20	0.35

▸	CDK4	P11802	1/20	0.35

▸	CCNB1	P14635	1/20	0.35

▸	CCNA2	P20248	1/20	0.35

▸	CCND1	P24385	1/20	0.35

▸	CDK2	P24941	1/20	0.35

▸	CCND3	P30281	1/20	0.35

▸	CSNK1A1	P48729	1/20	0.35

▸	CSNK1D	P48730	1/20	0.35

▸	CSNK1E	P49674	1/20	0.35

▸	CDK7	P50613	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
SCHEMBL802315	0.75	GRM4 (0.40)	GRM4PIM1CYP1A2CYP3A4CYP2D6
SCHEMBL801735	0.73	CYP1A2 (0.42)	GRM4MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL13107559	0.73	GRM4 (0.38)	GRM4PIM1MAPTCYP1A2CYP3A4
SCHEMBL10266514	0.71	GRM4 (0.41)	GRM4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25945842	0.69	LATS1 (0.42)	GRM4PIM1MAPTCYP1A2LATS1
SCHEMBL4785768	0.67	FADS1 (0.71)	GRM4PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL802359	0.63	TRPA1 (0.49)	GRM4CYP1A2CYP3A4FADS1EGFR
SCHEMBL2329924	0.63	CDK1 (0.61)	CDK1KDRCDK5CDK5R1CCNB2
SCHEMBL28185425	0.63	BCL6 (0.61)	NTRK1PIM1CDK1KDRMAPT
SCHEMBL28764459	0.62	CLK4 (0.52)	PLK1NTRK1KDRMAPTCDK5

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-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-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	GRM4 4253/4885PLK1 85/4885NTRK1 1354/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	GRM4 3726/4885PLK1 156/4885NTRK1 1423/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	GRM4 4253/4885PLK1 85/4885NTRK1 1354/4885

“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.