SCHEMBL81498

SCHEMBL81498

Cc1ccc(N2CCN(C)C(C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 19/20 0.52
ADRA2C P18825 19/20 0.52
ADRA2B P18089 18/20 0.52
ADRB1 P08588 1/20 0.44

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10293570 1.00 ADRA2A (0.52) ADRA2AADRA2CADRA2BADRB1
SCHEMBL17898055 1.00 ADRA2A (0.52) ADRA2AADRA2CADRA2BADRB1
SCHEMBL24518340 0.84 CDK4 (0.47) ADRA2AADRA2CADRA2B
SCHEMBL29964416 0.84 ADRA2A (0.44) ADRA2AADRA2CADRA2B
SCHEMBL15383525 0.84 ADRA2A (0.52) ADRA2AADRA2CADRA2B
SCHEMBL15858055 0.84 ADRA2A (0.52) ADRA2AADRA2CADRA2BADRB1
SCHEMBL188069 0.84 ADRA2C (0.56) ADRA2AADRA2CADRA2B
SCHEMBL31276581 0.84 ADRA2A (0.44) ADRA2AADRA2CADRA2B
SCHEMBL1814699 0.84 ADRA2C (0.56) ADRA2AADRA2CADRA2B
SCHEMBL15858027 0.84 ADRA2A (0.52) ADRA2AADRA2CADRA2B

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 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 (6 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ADRA2A 3331/4885ADRA2C 3756/4885ADRA2B 3334/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 ADRA2A 2840/4885ADRA2C 1828/4885ADRA2B 2598/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ADRA2A 2687/4885ADRA2C 3424/4885ADRA2B 2919/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRA2A 3378/4885ADRA2C 3793/4885ADRA2B 3996/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ADRA2A 2160/4885ADRA2C 1654/4885ADRA2B 1671/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ADRA2A 2160/4885ADRA2C 1654/4885ADRA2B 1671/4885

“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.