SCHEMBL506049 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ATR	Q13535	3/20	0.39

▸	TYK2	P29597	1/20	0.34

▸	BMPR1B	O00238	2/20	0.33

▸	BMPR1A	P36894	2/20	0.33

▸	TGFBR1	P36897	2/20	0.33

▸	ACVRL1	P37023	2/20	0.33

▸	ACVR1	Q04771	2/20	0.33

▸	PIM1	P11309	1/20	0.32

▸	MARK3	P27448	1/20	0.32

▸	MAP4K2	Q12851	1/20	0.32

▸	CAMK2B	Q13554	1/20	0.32

▸	PIM3	Q86V86	1/20	0.32

▸	PIM2	Q9P1W9	1/20	0.32

▸	PDE10A	Q9Y233	1/20	0.31

▸	RET	P07949	1/20	0.31

▸	FGFR1	P11362	1/20	0.31

▸	FGFR2	P21802	1/20	0.31

▸	FGFR3	P22607	1/20	0.31

▸	CASP3	P42574	1/20	0.31

▸	CDK9	P50750	1/20	0.31

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
SCHEMBL506216	0.89	ATR (0.40)	ATRTYK2BMPR1BBMPR1ATGFBR1
SCHEMBL12187615	0.86	ATR (0.42)	ATRTYK2BMPR1BBMPR1ATGFBR1
SCHEMBL506148	0.85	ATR (0.38)	ATRTYK2BMPR1BBMPR1ATGFBR1
SCHEMBL506414	0.83	PDPK1 (0.31)	ATRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2636174	0.83	CASP3 (0.32)	ATRPDE10ARETCASP3CDK9
SCHEMBL506792	0.83	ATR (0.36)	ATRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2635327	0.79	CASP3 (0.31)	CASP3CDK9CASP7MTOR
SCHEMBL506959	0.79	ATR (0.35)	ATRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13138748	0.77	HPGDS (0.35)	ATRPRKDCPDPK1
SCHEMBL27930404	0.74	ATR (0.38)	ATR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9630956-B2	Compounds useful as inhibitors of ATR kinase	VERTEX PHARMACEUTICALS INCORPORATED (US)	2017-04-25	—	—	US	disclosed
US-9630956-B2	Compounds useful as inhibitors of ATR kinase	VERTEX PHARMACEUTICALS INCORPORATED (US)	2017-04-25	—	—	US	disclosed
US-9630956-B2	Compounds useful as inhibitors of ATR kinase	VERTEX PHARMACEUTICALS INCORPORATED (US)	2017-04-25	—	—	US	disclosed
CN-103228651-A	Compounds useful as inhibitors of atr kinase	VERTEX PHARMA	2013-07-31	—	—	CN	disclosed
EP-2569313-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	Vertex Pharmaceuticals Incorporated (US)	2013-03-20	—	—	EP	disclosed
US-20120027874-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-02-02	—	—	US	disclosed
US-20120027874-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-02-02	—	—	US	disclosed
US-20120027874-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-02-02	—	—	US	disclosed
WO-2011143426-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-11-17	—	—	WO	disclosed
WO-2011143426-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-11-17	—	—	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 (1 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-20120027874-A1	COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE	ATR, CHEK1, CHEK2	ATR 1/4885TYK2 439/4885BMPR1B 4027/4885

“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.