SCHEMBL10158577

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(N[C@H]4CC[C@H](Nc5nc(N6CC[C@@H](NC(=O)N[C@@H]7CCNC7)C6)nc6c5ncn6[C@@H]5C[C@H](NC(=O)CC)[C@@H](O)[C@H]5O)CC4)nc(N4CC[C@@H](NC(=O)N[C@@H]5CCNC5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	14/20	0.42

▸	ADORA3	P0DMS8	13/20	0.42

▸	ADORA1	P30542	5/20	0.37

▸	EGFR	P00533	2/20	0.35

▸	ADORA2B	P29275	1/20	0.34

▸	CCNA2	P20248	1/20	0.34

▸	CDK2	P24941	1/20	0.34

▸	CDK5	Q00535	1/20	0.34

▸	CDK5R1	Q15078	1/20	0.34

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
SCHEMBL10158584	0.94	ADORA3 (0.36)	ADORA2AADORA3ADORA1EGFR
SCHEMBL10158589	0.92	ADORA3 (0.34)	ADORA2AADORA3ADORA1EGFRCCNA2
SCHEMBL10158586	0.89	ADORA3 (0.39)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL291920	0.88	ADORA2A (0.56)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL291921	0.88	ADORA2A (0.56)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL291922	0.88	ADORA2A (0.56)	ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL1402085	0.88	ADORA2A (0.48)	ADORA2AADORA3ADORA1EGFR
Trifluoroacetic Acid SCHEMBL2091169	0.87	ADORA2A (0.41)	ADORA2AADORA3CDK5
Trifluoroacetic Acid SCHEMBL1402083	0.87	ADORA2A (0.41)	ADORA2AADORA3CDK5
SCHEMBL10157189	0.85	ADORA3 (0.44)	ADORA2AADORA3ADORA1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8193164-B2	Organic compounds	NOVARTIS AG (CH)	2012-06-05	—	—	US	disclosed
US-8193164-B2	Organic compounds	NOVARTIS AG (CH)	2012-06-05	—	—	US	disclosed
US-20100190784-A1	Organic Compounds	NOVARTIS AG	2010-07-29	—	—	US	disclosed
US-20100190784-A1	Organic Compounds	NOVARTIS AG	2010-07-29	—	—	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 (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-20100190784-A1	Organic Compounds	CYP1B1, POLR2A, CYP1A1	ADORA2A 1137/4885ADORA3 1044/4885ADORA1 697/4885

“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.